2-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile

C19H18N6O — CID 56869965

IUPAC2-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCCC(c2n[nH]c(=O)n2-c2ccccc2)C1
InChIInChI=1S/C19H18N6O/c20-12-14-6-4-10-21-17(14)24-11-5-7-15(13-24)18-22-23-19(26)25(18)16-8-2-1-3-9-16/h1-4,6,8-10,15H,5,7,11,13H2,(H,23,26)
InChIKeyZEHCYMIWNIPRLV-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.21
Rot. Bonds3

About 2-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile

2-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 56869965) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID56869965
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name2-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCCC(c2n[nH]c(=O)n2-c2ccccc2)C1
InChIInChI=1S/C19H18N6O/c20-12-14-6-4-10-21-17(14)24-11-5-7-15(13-24)18-22-23-19(26)25(18)16-8-2-1-3-9-16/h1-4,6,8-10,15H,5,7,11,13H2,(H,23,26)
InChIKeyZEHCYMIWNIPRLV-UHFFFAOYSA-N
XLogP2.21
TPSA90.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-methyl-2-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 56709772
6-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 56881307
2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 47079116
3-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 95555320
3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 56875612
N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343961
4-phenyl-3-[(3R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95201374
4-phenyl-3-[(3R)-1-(1-propan-2-ylpiperidin-4-yl)piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95200004
2-[(3R)-3-[2-(methoxymethyl)pyrimidin-4-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 97063214
2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 113235312
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
2-[(3S)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95882703

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile (CID 56869965) is 2-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCCC(c2n[nH]c(=O)n2-c2ccccc2)C1.
What is the InChIKey of 2-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is ZEHCYMIWNIPRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c20-12-14-6-4-10-21-17(14)24-11-5-7-15(13-24)18-22-23-19(26)25(18)16-8-2-1-3-9-16/h1-4,6,8-10,15H,5,7,11,13H2,(H,23,26).
What are the key properties of 2-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile?
2-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 346.39 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56869965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).