1-(3-Bromopropyl)-1,2,4-triazole - CAS 113856-07-8

Catalog:	BB003277
Product Name:	1-(3-Bromopropyl)-1,2,4-triazole
CAS:	113856-07-8
Synonyms:	1-(3-bromopropyl)-1,2,4-triazole; 1-(3-bromopropyl)-1,2,4-triazole

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(3-bromopropyl)-1,2,4-triazole
Description:	1-(3-Bromopropyl)-1,2,4-triazole (CAS# 113856-07-8 ) is a useful research chemical.
Molecular Weight:	190.04
Molecular Formula:	C5H8BrN3
Canonical SMILES:	C1=NN(C=N1)CCCBr
InChI:	InChI=1S/C5H8BrN3/c6-2-1-3-9-5-7-4-8-9/h4-5H,1-3H2
InChI Key:	OGROQCNXGQUGTC-UHFFFAOYSA-N
LogP:	0.00000

Publication Number	Title	Priority Date
CN-107207505-B	Treat and prevent hepatitis b virus infected 2- oxo -6,7- dihydrobenzo [a] quinolizine -3- formic acid derivates	20150211
EP-3256471-B1	Novel 2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid derivatives for the treatment and prophylaxis of hepatitis b virus infection	20150211
JP-2018505198-A	Novel 2-oxo-6,7-dihydrobenzo [a] quinolidine-3-carboxylic acid derivatives for the treatment and prevention of hepatitis B virus infection	20150211
JP-6435054-B2	Novel 2-oxo-6,7-dihydrobenzo [a] quinolidine-3-carboxylic acid derivatives for the treatment and prevention of hepatitis B virus infection	20150211
US-10093671-B2	2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid derivatives for the treatment and prophylaxis of hepatitis B virus infection	20150211

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Related Functional Groups

Triazole/Tetrazole

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Complexity:	78.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.99016
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.99016
Rotatable Bond Count:	3
Topological Polar Surface Area:	30.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1