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

C21H23N5 — CID 57459483

IUPAC7-(4-phenylpiperidin-1-yl)-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
SMILESCCCc1nnc2c(C#N)c(N3CCC(c4ccccc4)CC3)ccn12
InChIInChI=1S/C21H23N5/c1-2-6-20-23-24-21-18(15-22)19(11-14-26(20)21)25-12-9-17(10-13-25)16-7-4-3-5-8-16/h3-5,7-8,11,14,17H,2,6,9-10,12-13H2,1H3
InChIKeyFUYBRODSYMQDNF-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.94
Rot. Bonds4

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

7-(4-phenylpiperidin-1-yl)-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile (PubChem CID 57459483) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 7-(4-phenylpiperidin-1-yl)-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-(4-phenylpiperidin-1-yl)-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
PubChem CID57459483
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name7-(4-phenylpiperidin-1-yl)-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
SMILESCCCc1nnc2c(C#N)c(N3CCC(c4ccccc4)CC3)ccn12
InChIInChI=1S/C21H23N5/c1-2-6-20-23-24-21-18(15-22)19(11-14-26(20)21)25-12-9-17(10-13-25)16-7-4-3-5-8-16/h3-5,7-8,11,14,17H,2,6,9-10,12-13H2,1H3
InChIKeyFUYBRODSYMQDNF-UHFFFAOYSA-N
XLogP3.94
TPSA57.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylpiperidin-1-yl)-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
The IUPAC name of 7-(4-phenylpiperidin-1-yl)-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile (CID 57459483) is 7-(4-phenylpiperidin-1-yl)-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile.
What is the SMILES notation for 7-(4-phenylpiperidin-1-yl)-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
The canonical SMILES for 7-(4-phenylpiperidin-1-yl)-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile is CCCc1nnc2c(C#N)c(N3CCC(c4ccccc4)CC3)ccn12.
What is the InChIKey of 7-(4-phenylpiperidin-1-yl)-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
The InChIKey is FUYBRODSYMQDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-2-6-20-23-24-21-18(15-22)19(11-14-26(20)21)25-12-9-17(10-13-25)16-7-4-3-5-8-16/h3-5,7-8,11,14,17H,2,6,9-10,12-13H2,1H3.
What are the key properties of 7-(4-phenylpiperidin-1-yl)-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile?
7-(4-phenylpiperidin-1-yl)-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile has a molecular weight of 345.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylpiperidin-1-yl)-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile is sourced from PubChem (CID 57459483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).