6-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile

C13H14N6 — CID 95305714

IUPAC6-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC[C@H]2Cn2cncn2)nc1
InChIInChI=1S/C13H14N6/c14-6-11-3-4-13(16-7-11)19-5-1-2-12(19)8-18-10-15-9-17-18/h3-4,7,9-10,12H,1-2,5,8H2/t12-/m0/s1
InChIKeyLXYKPXSCFVHKEY-LBPRGKRZSA-N
MW254.30 g/mol
LogP1.21
Rot. Bonds3

About 6-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile

6-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 95305714) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 6-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID95305714
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name6-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC[C@H]2Cn2cncn2)nc1
InChIInChI=1S/C13H14N6/c14-6-11-3-4-13(16-7-11)19-5-1-2-12(19)8-18-10-15-9-17-18/h3-4,7,9-10,12H,1-2,5,8H2/t12-/m0/s1
InChIKeyLXYKPXSCFVHKEY-LBPRGKRZSA-N
XLogP1.21
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 95308098
4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]benzonitrile
CID 95609800
6-[2-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 126926090
5,6-dimethyl-4-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 95307766
5,6-dimethyl-4-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 95307765
6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
CID 62662719
(2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 30078852
6-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 95303369
2-[2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 95321635
1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 95599929
1-[[(2R)-1-(2-chloro-4-nitrophenyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 97186325
(2S)-1-(5-cyano-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 32877843

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 95305714) is 6-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC[C@H]2Cn2cncn2)nc1.
What is the InChIKey of 6-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is LXYKPXSCFVHKEY-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H14N6/c14-6-11-3-4-13(16-7-11)19-5-1-2-12(19)8-18-10-15-9-17-18/h3-4,7,9-10,12H,1-2,5,8H2/t12-/m0/s1.
What are the key properties of 6-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
6-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 254.30 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 6-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 95305714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).