5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentanenitrile

C16H21N5 — CID 86911616

IUPAC5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentanenitrile
SMILESN#CCCCCN1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C16H21N5/c17-9-3-1-4-10-20-12-7-14(8-13-20)16-19-18-15-6-2-5-11-21(15)16/h2,5-6,11,14H,1,3-4,7-8,10,12-13H2
InChIKeyRTOGENODWLOXAG-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.60
Rot. Bonds5

About 5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentanenitrile

5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentanenitrile (PubChem CID 86911616) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentanenitrile
PubChem CID86911616
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentanenitrile
SMILESN#CCCCCN1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C16H21N5/c17-9-3-1-4-10-20-12-7-14(8-13-20)16-19-18-15-6-2-5-11-21(15)16/h2,5-6,11,14H,1,3-4,7-8,10,12-13H2
InChIKeyRTOGENODWLOXAG-UHFFFAOYSA-N
XLogP2.60
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 56788570
N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 78818249
1-(4-methylphenyl)-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 99712325
[4-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009006
3-[1-[(2S)-butan-2-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 99782748
6-pyrrol-1-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]hexan-1-one
CID 127254735
3-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 78818247
3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138801
2-methyl-5-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 86909036
1,3-dimethyl-7-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]purine-2,6-dione
CID 112797028
3-[1-[2-(2,5-dichlorophenyl)sulfonylethyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 78818246
(1R)-1-(3-fluorophenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol
CID 95623551

Frequently Asked Questions

What is the IUPAC name of 5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentanenitrile?
The IUPAC name of 5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentanenitrile (CID 86911616) is 5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentanenitrile.
What is the SMILES notation for 5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentanenitrile?
The canonical SMILES for 5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentanenitrile is N#CCCCCN1CCC(c2nnc3ccccn23)CC1.
What is the InChIKey of 5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentanenitrile?
The InChIKey is RTOGENODWLOXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c17-9-3-1-4-10-20-12-7-14(8-13-20)16-19-18-15-6-2-5-11-21(15)16/h2,5-6,11,14H,1,3-4,7-8,10,12-13H2.
What are the key properties of 5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentanenitrile?
5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentanenitrile has a molecular weight of 283.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]pentanenitrile is sourced from PubChem (CID 86911616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).