3-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile

C19H19N5 — CID 57459476

IUPAC3-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
SMILESCc1nnc2c(C#N)c(N3CCC(c4ccccc4)CC3)ccn12
InChIInChI=1S/C19H19N5/c1-14-21-22-19-17(13-20)18(9-12-24(14)19)23-10-7-16(8-11-23)15-5-3-2-4-6-15/h2-6,9,12,16H,7-8,10-11H2,1H3
InChIKeySLCZGRQIOVTDSA-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.29
Rot. Bonds2

About 3-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile

3-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile (PubChem CID 57459476) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name3-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
PubChem CID57459476
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name3-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
SMILESCc1nnc2c(C#N)c(N3CCC(c4ccccc4)CC3)ccn12
InChIInChI=1S/C19H19N5/c1-14-21-22-19-17(13-20)18(9-12-24(14)19)23-10-7-16(8-11-23)15-5-3-2-4-6-15/h2-6,9,12,16H,7-8,10-11H2,1H3
InChIKeySLCZGRQIOVTDSA-UHFFFAOYSA-N
XLogP3.29
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-phenylpiperidin-1-yl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
CID 57459545
3-(cyclopropylmethyl)-7-[4-(2-fluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
CID 57470404
8-chloro-3-(ethoxymethyl)-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 57459491
3-methyl-6-(4-phenylpiperidin-1-yl)pyrrolo[1,2-a]quinoxaline
CID 67627091
2-(4-phenylpiperidin-1-yl)aniline
CID 139916911
3-methyl-4-(4-phenylpiperidin-1-yl)pyridine
CID 137318862
3-methyl-7-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 157015653
[4-methyl-5-(4-phenylpiperidin-1-yl)pyridazin-3-yl]hydrazine
CID 118108204
4-(2-hydroxyethylamino)-2-methylsulfanyl-6-(4-phenylpiperidin-1-yl)pyrimidine-5-carbonitrile
CID 18753235
N-methyl-7-(4-phenylpiperidin-1-yl)-3-(4,4,4-trifluorobutyl)imidazo[1,2-a]pyridin-8-amine
CID 130239084
3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile
CID 80509809
3-methyl-2-(3-phenylpyrrolidin-1-yl)benzonitrile
CID 107106787

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
The IUPAC name of 3-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile (CID 57459476) is 3-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile.
What is the SMILES notation for 3-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
The canonical SMILES for 3-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile is Cc1nnc2c(C#N)c(N3CCC(c4ccccc4)CC3)ccn12.
What is the InChIKey of 3-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
The InChIKey is SLCZGRQIOVTDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-14-21-22-19-17(13-20)18(9-12-24(14)19)23-10-7-16(8-11-23)15-5-3-2-4-6-15/h2-6,9,12,16H,7-8,10-11H2,1H3.
What are the key properties of 3-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
3-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile has a molecular weight of 317.40 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile is sourced from PubChem (CID 57459476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).