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4-amino-2-methyl-1,2,4-triazol-3-one

4-amino-2-methyl-1,2,4-triazol-3-one structure

CAS No:
4254-55-1
Formula:
C3H6N4O
Chemical Name:
4-amino-2-methyl-1,2,4-triazol-3-one
Synonyms:
4254-55-1;4-amino-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one;4-Amino-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one;4-amino-2-methyl-1,2,4-triazol-3-one;4-amino-2-methyl-2,4-dihydro-[1,2,4]triazol-3-one;ZINC32136662;AKOS026727454;1-Methyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one;4-Amino-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one #

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4-amino-2-methyl-1,2,4-triazol-3-one Basic Attributes

Molecular Weight：

114.11 g/mol

Exact Mass：

114.05416083 g/mol

Characteristics

PSA：

61.9 Å²

XLogP3：

-1.1232

Melting Point：

152 °C (ethanol)

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:114.11
XLogP3:-1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:114.05416083
Monoisotopic Mass:114.05416083
Topological Polar Surface Area:61.9
Heavy Atom Count:8
Complexity:142
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-amino-2-methyl-1,2,4-triazol-3-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

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