Name: Name:2-amino-5-(chloromethyl)-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Brand: Angene
SKU: AG01EHSM
Rating: 90 (10 reviews)

2-amino-5-(chloromethyl)-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

CAS No.:

885867-96-9

Catalog Number:

AG01EHSM

Molecular Formula:

C6H6ClN5O

Molecular Weight:

199.5977

Catalog Number:

AG01EHSM

Chemical Name:

2-amino-5-(chloromethyl)-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

CAS Number:

885867-96-9

Molecular Formula:

C6H6ClN5O

Molecular Weight:

199.5977

MDL Number:

MFCD13196135

IUPAC Name:

2-amino-5-(chloromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

InChI:

InChI=1S/C6H6ClN5O/c7-2-3-1-4(13)12-6(9-3)10-5(8)11-12/h1H,2H2,(H3,8,9,10,11)

InChI Key:

JYCINVQOGMZLJM-UHFFFAOYSA-N

SMILES:

ClCc1cc(=O)n2c(n1)[nH]c(n2)N

Complexity:

358

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

199.026g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

199.598g/mol

Monoisotopic Mass:

199.026g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.1