1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol

C13H24N4O2 — CID 62119183

IUPAC1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
SMILESCn1cnnc1CNCC(O)COC1CCCCC1
InChIInChI=1S/C13H24N4O2/c1-17-10-15-16-13(17)8-14-7-11(18)9-19-12-5-3-2-4-6-12/h10-12,14,18H,2-9H2,1H3
InChIKeyMDFJPMIYSGOJGP-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.61
Rot. Bonds7

About 1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol

1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol (PubChem CID 62119183) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
PubChem CID62119183
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
SMILESCn1cnnc1CNCC(O)COC1CCCCC1
InChIInChI=1S/C13H24N4O2/c1-17-10-15-16-13(17)8-14-7-11(18)9-19-12-5-3-2-4-6-12/h10-12,14,18H,2-9H2,1H3
InChIKeyMDFJPMIYSGOJGP-UHFFFAOYSA-N
XLogP0.61
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol 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-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol (CID 62119183) is 1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol is Cn1cnnc1CNCC(O)COC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
The InChIKey is MDFJPMIYSGOJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-17-10-15-16-13(17)8-14-7-11(18)9-19-12-5-3-2-4-6-12/h10-12,14,18H,2-9H2,1H3.
What are the key properties of 1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol has a molecular weight of 268.36 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 62119183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).