6-(5-hexan-2-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile

C14H17N5 — CID 170255842

IUPAC6-(5-hexan-2-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile
SMILESCCCCC(C)c1ncnn1-c1ccc(C#N)cn1
InChIInChI=1S/C14H17N5/c1-3-4-5-11(2)14-17-10-18-19(14)13-7-6-12(8-15)9-16-13/h6-7,9-11H,3-5H2,1-2H3
InChIKeyXKSGYEHULMPSOQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.83
Rot. Bonds5

About 6-(5-hexan-2-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile

6-(5-hexan-2-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile (PubChem CID 170255842) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-(5-hexan-2-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(5-hexan-2-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile
PubChem CID170255842
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name6-(5-hexan-2-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile
SMILESCCCCC(C)c1ncnn1-c1ccc(C#N)cn1
InChIInChI=1S/C14H17N5/c1-3-4-5-11(2)14-17-10-18-19(14)13-7-6-12(8-15)9-16-13/h6-7,9-11H,3-5H2,1-2H3
InChIKeyXKSGYEHULMPSOQ-UHFFFAOYSA-N
XLogP2.83
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[5-[(1S)-1-aminoethyl]-1,2,4-triazol-1-yl]pyridine-3-carbonitrile
CID 155676495
3,5-dichloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 162496214
N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-3,4,5-trifluorobenzamide
CID 162496253
3-bromo-5-chloro-N-[1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 146486802
N-[1-[2-(5-cyano-2-pyridinyl)-5-propyl-1,2,4-triazol-3-yl]ethyl]formamide
CID 166878613
6-chloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]pyridine-2-carboxamide
CID 164935954
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 112698394
3-bromo-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-propan-2-yloxybenzamide
CID 164935942
3-chloro-N-[1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-N-ethyl-5-(trifluoromethyl)benzamide
CID 162496238
5-methyl-2-(5-propan-2-yl-1,2,4-triazol-1-yl)pyridine
CID 166878634
N-[1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-3,5-bis(trifluoromethyl)-N-(2-trimethylsilylethyl)benzamide
CID 162496327

Frequently Asked Questions

What is the IUPAC name of 6-(5-hexan-2-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(5-hexan-2-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile (CID 170255842) is 6-(5-hexan-2-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(5-hexan-2-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(5-hexan-2-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile is CCCCC(C)c1ncnn1-c1ccc(C#N)cn1.
What is the InChIKey of 6-(5-hexan-2-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile?
The InChIKey is XKSGYEHULMPSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-3-4-5-11(2)14-17-10-18-19(14)13-7-6-12(8-15)9-16-13/h6-7,9-11H,3-5H2,1-2H3.
What are the key properties of 6-(5-hexan-2-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile?
6-(5-hexan-2-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-hexan-2-yl-1,2,4-triazol-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 170255842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).