3-cyclohexyl-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine

C13H17N3O — CID 117140658

IUPAC3-cyclohexyl-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc2nnc(C3CCCCC3)n12
InChIInChI=1S/C13H17N3O/c1-17-12-9-5-8-11-14-15-13(16(11)12)10-6-3-2-4-7-10/h5,8-10H,2-4,6-7H2,1H3
InChIKeyAKJGATIJIDRIRW-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.79
Rot. Bonds2

About 3-cyclohexyl-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine

3-cyclohexyl-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117140658) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-cyclohexyl-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-cyclohexyl-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117140658
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-cyclohexyl-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc2nnc(C3CCCCC3)n12
InChIInChI=1S/C13H17N3O/c1-17-12-9-5-8-11-14-15-13(16(11)12)10-6-3-2-4-7-10/h5,8-10H,2-4,6-7H2,1H3
InChIKeyAKJGATIJIDRIRW-UHFFFAOYSA-N
XLogP2.79
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117140421
3-cyclopentyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117142344
5-methoxy-3-(1-methylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117140470
5-bromo-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine
CID 83900543
2-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine
CID 83866670
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 83686835
methyl 3-(1,1-dioxothian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 117142477
5-methoxy-3-(oxan-4-yl)imidazo[1,5-a]pyridine
CID 117140411
5-chloro-3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 81441691
methyl 3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 117142448
5-methoxy-3-(1-propan-2-ylpiperidin-3-yl)imidazo[1,5-a]pyridine
CID 117140458
2-amino-2-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanol
CID 83888161

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-cyclohexyl-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine (CID 117140658) is 3-cyclohexyl-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-cyclohexyl-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-cyclohexyl-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine is COc1cccc2nnc(C3CCCCC3)n12.
What is the InChIKey of 3-cyclohexyl-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is AKJGATIJIDRIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-17-12-9-5-8-11-14-15-13(16(11)12)10-6-3-2-4-7-10/h5,8-10H,2-4,6-7H2,1H3.
What are the key properties of 3-cyclohexyl-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine?
3-cyclohexyl-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 231.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117140658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).