Name: Name:1,2,4-Triazolo[4,3-c]pyrimidin-3(2H)-one,8-amino-7-chloro-
Brand: Angene
SKU: AG006UEV
Rating: 90 (10 reviews)

1,2,4-Triazolo[4,3-c]pyrimidin-3(2H)-one,8-amino-7-chloro-

CAS No.:

15206-33-4

Catalog Number:

AG006UEV

Molecular Formula:

C5H4ClN5O

Molecular Weight:

185.5712

Catalog Number:

AG006UEV

Chemical Name:

1,2,4-Triazolo[4,3-c]pyrimidin-3(2H)-one,8-amino-7-chloro-

CAS Number:

15206-33-4

Molecular Formula:

C5H4ClN5O

Molecular Weight:

185.5712

MDL Number:

MFCD20730172

IUPAC Name:

8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

InChI:

InChI=1S/C5H4ClN5O/c6-3-2(7)4-9-10-5(12)11(4)1-8-3/h1H,7H2,(H,10,12)

InChI Key:

XYZPQHDOYCOWBK-UHFFFAOYSA-N

SMILES:

Clc1ncn2c(c1N)n[nH]c2=O

NSC Number:

68762

Complexity:

344

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

185.01g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

185.571g/mol

Monoisotopic Mass:

185.01g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5