5-Amino-1H-1,2,3-triazole-4-carboxamide - CAS 4342-07-8

Catalog:	BB075311
Product Name:	5-Amino-1H-1,2,3-triazole-4-carboxamide
CAS:	4342-07-8
Synonyms:	4-amino-1H-1,2,3-triazole-5-carboxamide; 5-amino-1H-1,2,3-triazole-4-carboxamide; 5-amino-2H-triazole-4-carboxamide; Triazole-5-carboxaldehyde

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5-amino-2H-triazole-4-carboxamide
Molecular Weight:	127.11
Molecular Formula:	C3H5N5O
Canonical SMILES:	C1(=NNN=C1N)C(=O)N
InChI:	InChI=1S/C3H5N5O/c4-2-1(3(5)9)6-8-7-2/h(H2,5,9)(H3,4,6,7,8)
InChI Key:	MNKBSXULTGYFFR-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.0494098
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	127.0494098
Rotatable Bond Count:	1
Topological Polar Surface Area:	111Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1