cyclohexane;7-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C13H23N3O — CID 168894181

IUPACcyclohexane;7-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESC1CCCCC1.COC1CCn2cnnc2C1
InChIInChI=1S/C7H11N3O.C6H12/c1-11-6-2-3-10-5-8-9-7(10)4-6;1-2-4-6-5-3-1/h5-6H,2-4H2,1H3;1-6H2
InChIKeyQOHNGVIMKNPJSW-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.58
Rot. Bonds1

About cyclohexane;7-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

cyclohexane;7-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 168894181) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is cyclohexane;7-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Namecyclohexane;7-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID168894181
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Namecyclohexane;7-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESC1CCCCC1.COC1CCn2cnnc2C1
InChIInChI=1S/C7H11N3O.C6H12/c1-11-6-2-3-10-5-8-9-7(10)4-6;1-2-4-6-5-3-1/h5-6H,2-4H2,1H3;1-6H2
InChIKeyQOHNGVIMKNPJSW-UHFFFAOYSA-N
XLogP2.58
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclohexane;7-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

7-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
CID 146339081
5-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
CID 153319605
Propanal;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;hydroiodide
CID 168256513
Hexane;7-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 168893977
7-Methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 168893978
3-(2-Methoxybutyl)-4-methyl-1,2,4-triazole
CID 168894089
5-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
CID 170079612
4-[2-(4-Methyl-1,2,4-triazol-3-yl)ethoxy]piperidine
CID 63875829
4-[2-(4-Ethyl-1,2,4-triazol-3-yl)ethoxy]piperidine
CID 63875998
4-[2-(4-Propyl-1,2,4-triazol-3-yl)ethoxy]piperidine
CID 63876000
4-[2-(4-Cyclohexyl-1,2,4-triazol-3-yl)ethoxy]piperidine
CID 63877386
5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
CID 84648396

Frequently Asked Questions

What is the IUPAC name of cyclohexane;7-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of cyclohexane;7-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 168894181) is cyclohexane;7-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for cyclohexane;7-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for cyclohexane;7-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is C1CCCCC1.COC1CCn2cnnc2C1.
What is the InChIKey of cyclohexane;7-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is QOHNGVIMKNPJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.C6H12/c1-11-6-2-3-10-5-8-9-7(10)4-6;1-2-4-6-5-3-1/h5-6H,2-4H2,1H3;1-6H2.
What are the key properties of cyclohexane;7-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
cyclohexane;7-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 237.35 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;7-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 168894181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).