3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile

C14H16N4 — CID 105392994

IUPAC3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESN#Cc1ccn2c(C3CCCCCC3)nnc2c1
InChIInChI=1S/C14H16N4/c15-10-11-7-8-18-13(9-11)16-17-14(18)12-5-3-1-2-4-6-12/h7-9,12H,1-6H2
InChIKeyBEOBVAJVZNFAJR-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.04
Rot. Bonds1

About 3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile

3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (PubChem CID 105392994) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
PubChem CID105392994
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
SMILESN#Cc1ccn2c(C3CCCCCC3)nnc2c1
InChIInChI=1S/C14H16N4/c15-10-11-7-8-18-13(9-11)16-17-14(18)12-5-3-1-2-4-6-12/h7-9,12H,1-6H2
InChIKeyBEOBVAJVZNFAJR-UHFFFAOYSA-N
XLogP3.04
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393195
3-(2,2,3,3-tetramethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393074
2-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567152
7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine
CID 53393311
3-cyclopropyl-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117144807
3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 83640668
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone
CID 83886634
3-(chloromethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 55267420
3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392928
3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117143835
7-methyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 75357455
7-methyl-3-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 79020647

Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The IUPAC name of 3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile (CID 105392994) is 3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile.
What is the SMILES notation for 3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The canonical SMILES for 3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is N#Cc1ccn2c(C3CCCCCC3)nnc2c1.
What is the InChIKey of 3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
The InChIKey is BEOBVAJVZNFAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c15-10-11-7-8-18-13(9-11)16-17-14(18)12-5-3-1-2-4-6-12/h7-9,12H,1-6H2.
What are the key properties of 3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile?
3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile is sourced from PubChem (CID 105392994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).