1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine

C12H22N4O — CID 62478084

IUPAC1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C12H22N4O/c1-17-8-7-10(13)12-14-11(15-16-12)9-5-3-2-4-6-9/h9-10H,2-8,13H2,1H3,(H,14,15,16)
InChIKeyVPNANJZCVORJIY-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.89
Rot. Bonds5

About 1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine

1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine (PubChem CID 62478084) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine
PubChem CID62478084
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine
SMILESCOCCC(N)c1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C12H22N4O/c1-17-8-7-10(13)12-14-11(15-16-12)9-5-3-2-4-6-9/h9-10H,2-8,13H2,1H3,(H,14,15,16)
InChIKeyVPNANJZCVORJIY-UHFFFAOYSA-N
XLogP1.89
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine?
The IUPAC name of 1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine (CID 62478084) is 1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine.
What is the SMILES notation for 1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine?
The canonical SMILES for 1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine is COCCC(N)c1n[nH]c(C2CCCCC2)n1.
What is the InChIKey of 1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine?
The InChIKey is VPNANJZCVORJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-17-8-7-10(13)12-14-11(15-16-12)9-5-3-2-4-6-9/h9-10H,2-8,13H2,1H3,(H,14,15,16).
What are the key properties of 1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine?
1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine is sourced from PubChem (CID 62478084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).