2-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyridine

C13H17N3 — CID 102337829

IUPAC2-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESc1ccn2nc(CC3CCCCC3)nc2c1
InChIInChI=1S/C13H17N3/c1-2-6-11(7-3-1)10-12-14-13-8-4-5-9-16(13)15-12/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeyQHTJVGJPBYXWPQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.85
Rot. Bonds2

About 2-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyridine

2-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 102337829) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID102337829
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESc1ccn2nc(CC3CCCCC3)nc2c1
InChIInChI=1S/C13H17N3/c1-2-6-11(7-3-1)10-12-14-13-8-4-5-9-16(13)15-12/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeyQHTJVGJPBYXWPQ-UHFFFAOYSA-N
XLogP2.85
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(thian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117129952
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117129844
[1,2,4]triazolo[1,5-a]pyridin-2-ylmethanamine
CID 71743599
4-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)morpholine
CID 117257528
N,N-dimethyl-2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine
CID 117130957
2-(2-cyclohexylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 83965740
4-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)aniline
CID 83966881
7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117133947
6-methyl-2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117130107
2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117129285
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117130151
2-(thian-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117136208

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 102337829) is 2-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is c1ccn2nc(CC3CCCCC3)nc2c1.
What is the InChIKey of 2-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QHTJVGJPBYXWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-6-11(7-3-1)10-12-14-13-8-4-5-9-16(13)15-12/h4-5,8-9,11H,1-3,6-7,10H2.
What are the key properties of 2-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyridine?
2-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 215.30 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 102337829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).