3-(4-chlorophenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-4H-1,2,4-triazin-5-one

C16H17ClN4O2 — CID 135922780

IUPAC3-(4-chlorophenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-4H-1,2,4-triazin-5-one
SMILESO=C(CCc1nnc(-c2ccc(Cl)cc2)[nH]c1=O)N1CCCC1
InChIInChI=1S/C16H17ClN4O2/c17-12-5-3-11(4-6-12)15-18-16(23)13(19-20-15)7-8-14(22)21-9-1-2-10-21/h3-6H,1-2,7-10H2,(H,18,20,23)
InChIKeyYZTRCACPCKDHRE-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.04
Rot. Bonds4

About 3-(4-chlorophenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-4H-1,2,4-triazin-5-one

3-(4-chlorophenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-4H-1,2,4-triazin-5-one (PubChem CID 135922780) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-4H-1,2,4-triazin-5-one
PubChem CID135922780
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name3-(4-chlorophenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-4H-1,2,4-triazin-5-one
SMILESO=C(CCc1nnc(-c2ccc(Cl)cc2)[nH]c1=O)N1CCCC1
InChIInChI=1S/C16H17ClN4O2/c17-12-5-3-11(4-6-12)15-18-16(23)13(19-20-15)7-8-14(22)21-9-1-2-10-21/h3-6H,1-2,7-10H2,(H,18,20,23)
InChIKeyYZTRCACPCKDHRE-UHFFFAOYSA-N
XLogP2.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-4H-1,2,4-triazin-5-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-Chlorophenyl)-6-methyl-1,2,4-triazin-5-ol
CID 135472873
3-[3-(3-chloro-4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-ethyl-N-methylpropanamide
CID 135868944
3-(3,4-difluorophenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-4H-1,2,4-triazin-5-one
CID 135872377
3-(3-chloro-4-fluorophenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,2,4-triazin-5-one
CID 135872451
3-[3-(3-chloro-4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-methyl-N-propan-2-ylpropanamide
CID 135872456
3-[3-(3-chloro-4-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-prop-2-ynylpropanamide
CID 135872460
3-(3-chloro-4-fluorophenyl)-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one
CID 156601811
6-(3-oxo-3-piperidinopropyl)-3-phenyl-1,2,4-triazin-5(2H)-one
CID 135868782
3-(3-chloro-4-methylphenyl)-6-(3-oxo-3-piperidinopropyl)-1,2,4-triazin-5(2H)-one
CID 135868799
3-(3-chloro-4-methylphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,2,4-triazin-5-one
CID 135868802
3-[3-(3-chloro-4-methylphenyl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N~1~-cyclopropylpropanamide
CID 135868806
3-(3-chlorophenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,2,4-triazin-5-one
CID 135868826

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(4-chlorophenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-4H-1,2,4-triazin-5-one (CID 135922780) is 3-(4-chlorophenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(4-chlorophenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(4-chlorophenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-4H-1,2,4-triazin-5-one is O=C(CCc1nnc(-c2ccc(Cl)cc2)[nH]c1=O)N1CCCC1.
What is the InChIKey of 3-(4-chlorophenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-4H-1,2,4-triazin-5-one?
The InChIKey is YZTRCACPCKDHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-12-5-3-11(4-6-12)15-18-16(23)13(19-20-15)7-8-14(22)21-9-1-2-10-21/h3-6H,1-2,7-10H2,(H,18,20,23).
What are the key properties of 3-(4-chlorophenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-4H-1,2,4-triazin-5-one?
3-(4-chlorophenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-4H-1,2,4-triazin-5-one has a molecular weight of 332.79 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135922780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).