3-(4H-1,2,4-Triazol-4-yl)aniline - CAS 252928-92-0

Catalog:	BB018844
Product Name:	3-(4H-1,2,4-Triazol-4-yl)aniline
CAS:	252928-92-0
Synonyms:	3-(1,2,4-triazol-4-yl)aniline

Technical Data

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Computed Properties

IUPAC Name:	3-(1,2,4-triazol-4-yl)aniline
Description:	3-(4H-1,2,4-Triazol-4-yl)aniline (CAS# 252928-92-0) is a useful research chemical.
Molecular Weight:	160.18
Molecular Formula:	C8H8N4
Canonical SMILES:	C1=CC(=CC(=C1)N)N2C=NN=C2
InChI:	InChI=1S/C8H8N4/c9-7-2-1-3-8(4-7)12-5-10-11-6-12/h1-6H,9H2
InChI Key:	WPGPBPCIYBWYMQ-UHFFFAOYSA-N
Boiling Point:	394.5 °C at 760 mmHg
Density:	1.32 g/cm³
MDL:	MFCD07395923
LogP:	1.43070

Publication Number	Title	Priority Date
AU-2009244897-A1	2, 6-diamino- pyrimidin- 5-yl-carboxamides as syk or JAK kinases inhibitors	20080416
AU-2009244897-A2	2, 6-diamino- pyrimidin- 5-yl-carboxamides as syk or JAK kinases inhibitors	20080416
AU-2009244897-B2	2, 6-diamino- pyrimidin- 5-yl-carboxamides as syk or JAK kinases inhibitors	20080416
CA-2728893-A1	Inhibitors of syk protein kinase	20080416
CA-2728893-C	Inhibitors of syk protein kinase	20080416

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Related Functional Groups

Triazole/Tetrazole

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N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride
[6926-51-8]
5-(4-Methoxyphenyl)-2H-tetrazole
[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[13616-37-0]
Ethyl 1H-tetrazole-5-acetate
[1823402-86-3]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate
[86152-46-7]
Ethyl 2-(5-amino-4H-1,2,4-triazol-3-yl)acetate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.074896272
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	160.074896272
Rotatable Bond Count:	1
Topological Polar Surface Area:	56.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4