Name: Name:METHYL 1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOLE-3-CARBOXYLATE
Brand: Angene
SKU: AG01DVED
Rating: 90 (10 reviews)

METHYL 1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOLE-3-CARBOXYLATE

CAS No.:

1494914-07-6

Catalog Number:

AG01DVED

Molecular Formula:

C8H7N5O2

Molecular Weight:

205.1735

Catalog Number:

AG01DVED

Chemical Name:

METHYL 1-(PYRIMIDIN-2-YL)-1H-1,2,4-TRIAZOLE-3-CARBOXYLATE

CAS Number:

1494914-07-6

Molecular Formula:

C8H7N5O2

Molecular Weight:

205.1735

MDL Number:

MFCD23723240

IUPAC Name:

methyl 1-pyrimidin-2-yl-1,2,4-triazole-3-carboxylate

InChI:

InChI=1S/C8H7N5O2/c1-15-7(14)6-11-5-13(12-6)8-9-3-2-4-10-8/h2-5H,1H3

InChI Key:

NBCLKNNSTJKNTM-UHFFFAOYSA-N

SMILES:

COC(=O)c1ncn(n1)c1ncccn1

Complexity:

231

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

205.06g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

205.177g/mol

Monoisotopic Mass:

205.06g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5