2-methyl-1-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

C15H20N6O — CID 95829523

IUPAC2-methyl-1-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC(C)(C(=O)N1CCC[C@H](c2cnccn2)C1)n1cncn1
InChIInChI=1S/C15H20N6O/c1-15(2,21-11-17-10-19-21)14(22)20-7-3-4-12(9-20)13-8-16-5-6-18-13/h5-6,8,10-12H,3-4,7,9H2,1-2H3/t12-/m0/s1
InChIKeyFFROLULSFXYMOF-LBPRGKRZSA-N
MW300.37 g/mol
LogP1.21
Rot. Bonds3

About 2-methyl-1-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

2-methyl-1-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 95829523) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-methyl-1-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID95829523
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-methyl-1-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC(C)(C(=O)N1CCC[C@H](c2cnccn2)C1)n1cncn1
InChIInChI=1S/C15H20N6O/c1-15(2,21-11-17-10-19-21)14(22)20-7-3-4-12(9-20)13-8-16-5-6-18-13/h5-6,8,10-12H,3-4,7,9H2,1-2H3/t12-/m0/s1
InChIKeyFFROLULSFXYMOF-LBPRGKRZSA-N
XLogP1.21
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-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

2-methyl-1-(3-pyrazin-2-ylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 110259162
2-methyl-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 124948587
(1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110096423
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969
3-(5-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]propan-1-one
CID 92562739
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
2-(4-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]ethanone
CID 92563712
1,3-oxazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110271238
2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one
CID 110256044
2-methyl-1-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 127246429
1-[(4S)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
CID 124968323
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110270945

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one (CID 95829523) is 2-methyl-1-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one is CC(C)(C(=O)N1CCC[C@H](c2cnccn2)C1)n1cncn1.
What is the InChIKey of 2-methyl-1-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is FFROLULSFXYMOF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N6O/c1-15(2,21-11-17-10-19-21)14(22)20-7-3-4-12(9-20)13-8-16-5-6-18-13/h5-6,8,10-12H,3-4,7,9H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-methyl-1-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?
2-methyl-1-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 300.37 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 95829523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).