1-Isopropyl-1H-1,2,3-triazole-4-carboxylic acid - CAS 1249780-66-2

Catalog:	BB006033
Product Name:	1-Isopropyl-1H-1,2,3-triazole-4-carboxylic acid
CAS:	1249780-66-2
Synonyms:	1-propan-2-yltriazole-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1-propan-2-yltriazole-4-carboxylic acid
Description:	1-Isopropyl-1H-1,2,3-triazole-4-carboxylic Acid can be used as hepatitis C inhibitors to use in medicine.
Molecular Weight:	155.15
Molecular Formula:	C6H9N3O2
Canonical SMILES:	CC(C)N1C=C(N=N1)C(=O)O
InChI:	InChI=1S/C6H9N3O2/c1-4(2)9-3-5(6(10)11)7-8-9/h3-4H,1-2H3,(H,10,11)
InChI Key:	RUKMIOZCNDLJKL-UHFFFAOYSA-N
LogP:	0.55720

Publication Number	Title	Priority Date
WO-2016127859-A1	Compounds as hepatitis c inhibitors and uses thereof in medicine	20150213
EP-3677579-A1	Heterocyclic gls1 inhibitors	20140703
US-2011028461-A1	Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists	20080404
US-8501786-B2	Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists	20080404
BR-PI0821266-B1	triazole-substituted arylamide derivatives and their use and pharmaceutical composition	20071217

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Related Functional Groups

Triazole/Tetrazole

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Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.069476538
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	155.069476538
Rotatable Bond Count:	2
Topological Polar Surface Area:	68
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3