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

C18H14ClN5O2 — CID 4314927

IUPACN-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide
SMILESO=C1CC(c2ccc(Cl)cc2)n2nc(NC(=O)c3ccccc3)nc2N1
InChIInChI=1S/C18H14ClN5O2/c19-13-8-6-11(7-9-13)14-10-15(25)20-18-22-17(23-24(14)18)21-16(26)12-4-2-1-3-5-12/h1-9,14H,10H2,(H2,20,21,22,23,25,26)
InChIKeyUXQRLPKHYZEMKW-UHFFFAOYSA-N
MW367.80 g/mol
LogP3.12
Rot. Bonds3

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

N-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide (PubChem CID 4314927) has the molecular formula C18H14ClN5O2 and a molecular weight of 367.80 g/mol. Its IUPAC name is N-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide.

Molecular Properties

Compound NameN-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide
PubChem CID4314927
Molecular FormulaC18H14ClN5O2
Molecular Weight367.80 g/mol
Exact Mass367.08
IUPAC NameN-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide
SMILESO=C1CC(c2ccc(Cl)cc2)n2nc(NC(=O)c3ccccc3)nc2N1
InChIInChI=1S/C18H14ClN5O2/c19-13-8-6-11(7-9-13)14-10-15(25)20-18-22-17(23-24(14)18)21-16(26)12-4-2-1-3-5-12/h1-9,14H,10H2,(H2,20,21,22,23,25,26)
InChIKeyUXQRLPKHYZEMKW-UHFFFAOYSA-N
XLogP3.12
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide?
The IUPAC name of N-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide (CID 4314927) is N-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide.
What is the SMILES notation for N-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide?
The canonical SMILES for N-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide is O=C1CC(c2ccc(Cl)cc2)n2nc(NC(=O)c3ccccc3)nc2N1.
What is the InChIKey of N-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide?
The InChIKey is UXQRLPKHYZEMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2/c19-13-8-6-11(7-9-13)14-10-15(25)20-18-22-17(23-24(14)18)21-16(26)12-4-2-1-3-5-12/h1-9,14H,10H2,(H2,20,21,22,23,25,26).
What are the key properties of N-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide?
N-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide has a molecular weight of 367.80 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide is sourced from PubChem (CID 4314927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).