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

C15H16ClN5O2 — CID 938825

IUPACN-[(7S)-7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(=O)N2
InChIInChI=1S/C15H16ClN5O2/c1-8(2)13(23)18-14-19-15-17-12(22)7-11(21(15)20-14)9-3-5-10(16)6-4-9/h3-6,8,11H,7H2,1-2H3,(H2,17,18,19,20,22,23)/t11-/m0/s1
InChIKeyIUFPRUOXZUFTDR-NSHDSACASA-N
MW333.78 g/mol
LogP2.46
Rot. Bonds3

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

N-[(7S)-7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide (PubChem CID 938825) has the molecular formula C15H16ClN5O2 and a molecular weight of 333.78 g/mol. Its IUPAC name is N-[(7S)-7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(7S)-7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide
PubChem CID938825
Molecular FormulaC15H16ClN5O2
Molecular Weight333.78 g/mol
Exact Mass333.10
IUPAC NameN-[(7S)-7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(=O)N2
InChIInChI=1S/C15H16ClN5O2/c1-8(2)13(23)18-14-19-15-17-12(22)7-11(21(15)20-14)9-3-5-10(16)6-4-9/h3-6,8,11H,7H2,1-2H3,(H2,17,18,19,20,22,23)/t11-/m0/s1
InChIKeyIUFPRUOXZUFTDR-NSHDSACASA-N
XLogP2.46
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(7S)-7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(7S)-7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(7S)-7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide (CID 938825) is N-[(7S)-7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(7S)-7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(7S)-7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(=O)N2.
What is the InChIKey of N-[(7S)-7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide?
The InChIKey is IUFPRUOXZUFTDR-NSHDSACASA-N. The full InChI is InChI=1S/C15H16ClN5O2/c1-8(2)13(23)18-14-19-15-17-12(22)7-11(21(15)20-14)9-3-5-10(16)6-4-9/h3-6,8,11H,7H2,1-2H3,(H2,17,18,19,20,22,23)/t11-/m0/s1.
What are the key properties of N-[(7S)-7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide?
N-[(7S)-7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide has a molecular weight of 333.78 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S)-7-(4-chlorophenyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 938825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).