1-Isopropyl-1H-1,2,4-triazole - CAS 63936-02-7

Catalog:	BB032330
Product Name:	1-Isopropyl-1H-1,2,4-triazole
CAS:	63936-02-7
Synonyms:	1-propan-2-yl-1,2,4-triazole; 1-propan-2-yl-1,2,4-triazole

Technical Data

Patents

Computed Properties

IUPAC Name:	1-propan-2-yl-1,2,4-triazole
Description:	1-Isopropyl-1H-1,2,4-triazole (CAS# 63936-02-7) is a useful research chemical.
Molecular Weight:	111.15
Molecular Formula:	C5H9N3
Canonical SMILES:	CC(C)N1C=NC=N1
InChI:	InChI=1S/C5H9N3/c1-5(2)8-4-6-3-7-8/h3-5H,1-2H3
InChI Key:	RDTUDLGSHURRHY-UHFFFAOYSA-N
MDL:	MFCD18889704
LogP:	0.85900

Publication Number	Title	Priority Date
US-10669262-B2	Aminopyrazine diol compounds as PI3K-Î³ inhibitors	20180308
US-2019276435-A1	AMINOPYRAZINE DIOL COMPOUNDS AS PI3K-y INHIBITORS	20180308
US-2020339542-A1	AMINOPYRAZINE DIOL COMPOUNDS AS PI3K-y INHIBITORS	20180308
US-2020331903-A1	3-(5-amino-pyrazin-2-yl)-benzenesulfonamide derivatives and related compounds as pi3k-gamma kinase inhibitors for treating e.g. cancer	20171221
US-2019015400-A1	Antifungal Compositions	20170717

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Complexity:	72.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	111.0796473
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	111.0796473
Rotatable Bond Count:	1
Topological Polar Surface Area:	30.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7