1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbonitrile

C12H13N5 — CID 122540293

IUPAC1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbonitrile
SMILESN#CC1CCN(c2cccc3ncnn23)CC1
InChIInChI=1S/C12H13N5/c13-8-10-4-6-16(7-5-10)12-3-1-2-11-14-9-15-17(11)12/h1-3,9-10H,4-7H2
InChIKeyLVBPHSQMFKIYMO-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.47
Rot. Bonds1

About 1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbonitrile

1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbonitrile (PubChem CID 122540293) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbonitrile
PubChem CID122540293
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbonitrile
SMILESN#CC1CCN(c2cccc3ncnn23)CC1
InChIInChI=1S/C12H13N5/c13-8-10-4-6-16(7-5-10)12-3-1-2-11-14-9-15-17(11)12/h1-3,9-10H,4-7H2
InChIKeyLVBPHSQMFKIYMO-UHFFFAOYSA-N
XLogP1.47
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbonitrile?
The IUPAC name of 1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbonitrile (CID 122540293) is 1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbonitrile?
The canonical SMILES for 1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbonitrile is N#CC1CCN(c2cccc3ncnn23)CC1.
What is the InChIKey of 1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbonitrile?
The InChIKey is LVBPHSQMFKIYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c13-8-10-4-6-16(7-5-10)12-3-1-2-11-14-9-15-17(11)12/h1-3,9-10H,4-7H2.
What are the key properties of 1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbonitrile?
1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbonitrile has a molecular weight of 227.27 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,2,4]triazolo[1,5-a]pyridin-5-yl)piperidine-4-carbonitrile is sourced from PubChem (CID 122540293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).