2-chloro-N-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide

C12H8ClN5O2 — CID 18891701

IUPAC2-chloro-N-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide
SMILESO=C(Nc1cnc2nc[nH]n2c1=O)c1ccccc1Cl
InChIInChI=1S/C12H8ClN5O2/c13-8-4-2-1-3-7(8)10(19)17-9-5-14-12-15-6-16-18(12)11(9)20/h1-6H,(H,17,19)(H,14,15,16)
InChIKeyPYIBHRAKIOSPHW-UHFFFAOYSA-N
MW289.68 g/mol
LogP1.32
Rot. Bonds2

About 2-chloro-N-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide

2-chloro-N-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide (PubChem CID 18891701) has the molecular formula C12H8ClN5O2 and a molecular weight of 289.68 g/mol. Its IUPAC name is 2-chloro-N-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide
PubChem CID18891701
Molecular FormulaC12H8ClN5O2
Molecular Weight289.68 g/mol
Exact Mass289.04
IUPAC Name2-chloro-N-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide
SMILESO=C(Nc1cnc2nc[nH]n2c1=O)c1ccccc1Cl
InChIInChI=1S/C12H8ClN5O2/c13-8-4-2-1-3-7(8)10(19)17-9-5-14-12-15-6-16-18(12)11(9)20/h1-6H,(H,17,19)(H,14,15,16)
InChIKeyPYIBHRAKIOSPHW-UHFFFAOYSA-N
XLogP1.32
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.68
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 18891698
2-chloro-N-(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
CID 18891470
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
N-(5-bromo-2-pyridinyl)-2-[(2-chlorobenzoyl)amino]benzamide
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2-chloro-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24689515
1-(2-chlorophenyl)-3-(7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea
CID 50794914
2-chloro-N-(1H-indol-3-yl)benzamide
CID 56763159
2-chloro-N-isoquinolin-3-ylbenzamide
CID 5237288
N-(2-aminophenyl)-2-chlorobenzamide
CID 684680
N-(2-chlorophenyl)-2-hydrazinylbenzamide
CID 62248319
N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572245
2-chloro-N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]benzamide
CID 155091264

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide?
The IUPAC name of 2-chloro-N-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide (CID 18891701) is 2-chloro-N-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for 2-chloro-N-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide is O=C(Nc1cnc2nc[nH]n2c1=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide?
The InChIKey is PYIBHRAKIOSPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN5O2/c13-8-4-2-1-3-7(8)10(19)17-9-5-14-12-15-6-16-18(12)11(9)20/h1-6H,(H,17,19)(H,14,15,16).
What are the key properties of 2-chloro-N-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide?
2-chloro-N-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide has a molecular weight of 289.68 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 18891701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).