6-(4-chlorophenyl)-3-(4-methylpiperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one

C18H18ClN5O2 — CID 91891452

IUPAC6-(4-chlorophenyl)-3-(4-methylpiperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one
SMILESCC1CCN(C(=O)c2nnn3cc(-c4ccc(Cl)cc4)[nH]c(=O)c23)CC1
InChIInChI=1S/C18H18ClN5O2/c1-11-6-8-23(9-7-11)18(26)15-16-17(25)20-14(10-24(16)22-21-15)12-2-4-13(19)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,20,25)
InChIKeyLFOXSDLGMDBAGX-UHFFFAOYSA-N
MW371.83 g/mol
LogP2.61
Rot. Bonds2

About 6-(4-chlorophenyl)-3-(4-methylpiperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one

6-(4-chlorophenyl)-3-(4-methylpiperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one (PubChem CID 91891452) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-(4-methylpiperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-(4-methylpiperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one
PubChem CID91891452
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name6-(4-chlorophenyl)-3-(4-methylpiperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one
SMILESCC1CCN(C(=O)c2nnn3cc(-c4ccc(Cl)cc4)[nH]c(=O)c23)CC1
InChIInChI=1S/C18H18ClN5O2/c1-11-6-8-23(9-7-11)18(26)15-16-17(25)20-14(10-24(16)22-21-15)12-2-4-13(19)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,20,25)
InChIKeyLFOXSDLGMDBAGX-UHFFFAOYSA-N
XLogP2.61
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-chlorophenyl)-3-(4-methylpiperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one 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 6-(4-chlorophenyl)-3-(4-methylpiperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-3-(4-methylpiperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one (CID 91891452) is 6-(4-chlorophenyl)-3-(4-methylpiperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-(4-methylpiperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-(4-methylpiperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one is CC1CCN(C(=O)c2nnn3cc(-c4ccc(Cl)cc4)[nH]c(=O)c23)CC1.
What is the InChIKey of 6-(4-chlorophenyl)-3-(4-methylpiperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one?
The InChIKey is LFOXSDLGMDBAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-11-6-8-23(9-7-11)18(26)15-16-17(25)20-14(10-24(16)22-21-15)12-2-4-13(19)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,20,25).
What are the key properties of 6-(4-chlorophenyl)-3-(4-methylpiperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one?
6-(4-chlorophenyl)-3-(4-methylpiperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one has a molecular weight of 371.83 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-(4-methylpiperidine-1-carbonyl)-5H-triazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91891452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).