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3,4-dimethyl-1H-1,2,4-triazol-5-one

3,4-dimethyl-1H-1,2,4-triazol-5-one structure

CAS No:
54770-19-3
Formula:
C4H7N3O
Chemical Name:
3,4-dimethyl-1H-1,2,4-triazol-5-one
Synonyms:
54770-19-3;3H-1,2,4-Triazol-3-one, 2,4-dihydro-4,5-dimethyl-;3,4-dimethyl-1H-1,2,4-triazol-5-one;4,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one;3,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one;SCHEMBL762702;CHEMBL451392;3H-1,2,4-Triazol-3-one,2,4-dihydro-4,5-dimethyl-;SCHEMBL11173244;DTXSID80203234;ZINC6072128;AKOS033920485;4,5-dimethyl-2,4-dihydro[1,2,4]triazol-3-one;Z2467523274

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3,4-dimethyl-1H-1,2,4-triazol-5-one Basic Attributes

Molecular Weight：

113.12 g/mol

Exact Mass：

113.058911855 g/mol

DSSTox ID：

DTXSID80203234

Characteristics

PSA：

44.7 Å²

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:113.12
XLogP3:-0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:113.058911855
Monoisotopic Mass:113.058911855
Topological Polar Surface Area:44.7
Heavy Atom Count:8
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4-dimethyl-1H-1,2,4-triazol-5-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

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