1-Benzyl-1H-1,2,4-triazol-5-amine - CAS 103262-22-2

Name: 1-Benzyl-1H-1,2,4-triazol-5-amine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB073458
Product Name:	1-Benzyl-1H-1,2,4-triazol-5-amine
CAS:	103262-22-2
Synonyms:	1-benzyl-1h-1,2,4-triazol-5-amine; 2-benzyl-1,2,4-triazol-3-amine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-benzyl-1,2,4-triazol-3-amine
Molecular Weight:	174.2
Molecular Formula:	C9H10N4
Canonical SMILES:	C1=CC=C(C=C1)CN2C(=NC=N2)N
InChI:	InChI=1S/C9H10N4/c10-9-11-7-12-13(9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,10,11,12)
InChI Key:	FEKTZCRTGOLRRL-UHFFFAOYSA-N

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Related Functional Groups

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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:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.090546336
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	174.090546336
Rotatable Bond Count:	2
Topological Polar Surface Area:	56.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3