4-[3-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile

C13H14N6 — CID 128901667

IUPAC4-[3-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCCC(n3ccnn3)C2)ccn1
InChIInChI=1S/C13H14N6/c14-9-11-8-12(3-4-15-11)18-6-1-2-13(10-18)19-7-5-16-17-19/h3-5,7-8,13H,1-2,6,10H2
InChIKeyNXUKGHQQIOIWOD-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.39
Rot. Bonds2

About 4-[3-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile

4-[3-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 128901667) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-[3-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID128901667
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name4-[3-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCCC(n3ccnn3)C2)ccn1
InChIInChI=1S/C13H14N6/c14-9-11-8-12(3-4-15-11)18-6-1-2-13(10-18)19-7-5-16-17-19/h3-5,7-8,13H,1-2,6,10H2
InChIKeyNXUKGHQQIOIWOD-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

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Related Compounds

4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile
CID 126772752
4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 104892898
4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile
CID 62492159
4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyridine-2-carbonitrile
CID 146105794
4-(4-methylsulfanylazepan-1-yl)pyridine-2-carbonitrile
CID 114237214
4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 63511845
2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197733
N-tert-butyl-1-(2-cyano-4-pyridinyl)piperidine-3-carboxamide
CID 172880720
2-methyl-4-[3-(triazol-1-yl)azetidin-1-yl]pyridine
CID 121183780
4-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carbonitrile
CID 66196783
4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carbonitrile
CID 62491625
4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
CID 62936415

Frequently Asked Questions

What is the IUPAC name of 4-[3-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[3-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile (CID 128901667) is 4-[3-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[3-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[3-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile is N#Cc1cc(N2CCCC(n3ccnn3)C2)ccn1.
What is the InChIKey of 4-[3-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is NXUKGHQQIOIWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c14-9-11-8-12(3-4-15-11)18-6-1-2-13(10-18)19-7-5-16-17-19/h3-5,7-8,13H,1-2,6,10H2.
What are the key properties of 4-[3-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile?
4-[3-(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 4-[3-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 128901667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).