4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-ethyloxolan-3-amine

C15H26N4O — CID 66245303

IUPAC4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-ethyloxolan-3-amine
SMILESCCNC1COCC1c1nnc(C)n1C1CCCCC1
InChIInChI=1S/C15H26N4O/c1-3-16-14-10-20-9-13(14)15-18-17-11(2)19(15)12-7-5-4-6-8-12/h12-14,16H,3-10H2,1-2H3
InChIKeyDSUBMAHUUUOZGI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.18
Rot. Bonds4

About 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-ethyloxolan-3-amine

4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-ethyloxolan-3-amine (PubChem CID 66245303) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-ethyloxolan-3-amine.

Molecular Properties

Compound Name4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-ethyloxolan-3-amine
PubChem CID66245303
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-ethyloxolan-3-amine
SMILESCCNC1COCC1c1nnc(C)n1C1CCCCC1
InChIInChI=1S/C15H26N4O/c1-3-16-14-10-20-9-13(14)15-18-17-11(2)19(15)12-7-5-4-6-8-12/h12-14,16H,3-10H2,1-2H3
InChIKeyDSUBMAHUUUOZGI-UHFFFAOYSA-N
XLogP2.18
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-ethyloxolan-3-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 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-ethyloxolan-3-amine?
The IUPAC name of 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-ethyloxolan-3-amine (CID 66245303) is 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-ethyloxolan-3-amine.
What is the SMILES notation for 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-ethyloxolan-3-amine?
The canonical SMILES for 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-ethyloxolan-3-amine is CCNC1COCC1c1nnc(C)n1C1CCCCC1.
What is the InChIKey of 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-ethyloxolan-3-amine?
The InChIKey is DSUBMAHUUUOZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-16-14-10-20-9-13(14)15-18-17-11(2)19(15)12-7-5-4-6-8-12/h12-14,16H,3-10H2,1-2H3.
What are the key properties of 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-ethyloxolan-3-amine?
4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-ethyloxolan-3-amine has a molecular weight of 278.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-ethyloxolan-3-amine is sourced from PubChem (CID 66245303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).