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

Name: 3-(4H-1,2,4-Triazol-4-yl)aniline
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

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Related Functional Groups

Triazole/Tetrazole

[1415314-22-5]C6H3ClIN3
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1823442-03-0]C8H12BrN3O2
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)butanoate
[1823783-63-6]C6H8ClN3O2
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
[1823462-45-8]C8H12ClN3O2
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823967-22-1]C7H10ClN3O2
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)propanoate
[86152-46-7]C6H10N4O2
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

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

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