6-[4-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile

C13H14N6 — CID 133455457

IUPAC6-[4-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC(n3ccnn3)CC2)n1
InChIInChI=1S/C13H14N6/c14-10-11-2-1-3-13(16-11)18-7-4-12(5-8-18)19-9-6-15-17-19/h1-3,6,9,12H,4-5,7-8H2
InChIKeyPLUCJWFYCVMFRZ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.39
Rot. Bonds2

About 6-[4-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile

6-[4-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 133455457) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 6-[4-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID133455457
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name6-[4-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC(n3ccnn3)CC2)n1
InChIInChI=1S/C13H14N6/c14-10-11-2-1-3-13(16-11)18-7-4-12(5-8-18)19-9-6-15-17-19/h1-3,6,9,12H,4-5,7-8H2
InChIKeyPLUCJWFYCVMFRZ-UHFFFAOYSA-N
XLogP1.39
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile 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

6-(4-aminopiperidin-1-yl)pyridine-2-carbonitrile
CID 64587586
2-tert-butyl-4-[4-(triazol-1-yl)piperidin-1-yl]pyrimidine
CID 133455634
6-chloro-2-[4-(triazol-1-yl)piperidin-1-yl]quinoline-4-carbonitrile
CID 133455579
N-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]cyclopropanesulfonamide
CID 146074389
6-[4-(azetidin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 66201042
1-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]-3-cyclohexylurea
CID 133392231
6-[4-[(2R)-oxolan-2-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 129476628
1-(6-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 163345350
6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile
CID 81198880
6-[3-(dimethylamino)azetidin-1-yl]pyridine-2-carbonitrile
CID 146386502
6-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 133392654
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbonitrile
CID 78995478

Frequently Asked Questions

What is the IUPAC name of 6-[4-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile (CID 133455457) is 6-[4-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile is N#Cc1cccc(N2CCC(n3ccnn3)CC2)n1.
What is the InChIKey of 6-[4-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is PLUCJWFYCVMFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c14-10-11-2-1-3-13(16-11)18-7-4-12(5-8-18)19-9-6-15-17-19/h1-3,6,9,12H,4-5,7-8H2.
What are the key properties of 6-[4-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile?
6-[4-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 254.30 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 133455457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).