2-[5-[(1S,3R,4R)-3-amino-4-propoxycyclohexyl]-3-cyclopentyl-1,2,4-triazol-1-yl]ethanol

C18H32N4O2 — CID 155500739

IUPAC2-[5-[(1S,3R,4R)-3-amino-4-propoxycyclohexyl]-3-cyclopentyl-1,2,4-triazol-1-yl]ethanol
SMILESCCCO[C@@H]1CC[C@H](c2nc(C3CCCC3)nn2CCO)C[C@H]1N
InChIInChI=1S/C18H32N4O2/c1-2-11-24-16-8-7-14(12-15(16)19)18-20-17(13-5-3-4-6-13)21-22(18)9-10-23/h13-16,23H,2-12,19H2,1H3/t14-,15+,16+/m0/s1
InChIKeyXEBNKBSWYSGLDF-ARFHVFGLSA-N
MW336.48 g/mol
LogP2.32
Rot. Bonds7

About 2-[5-[(1S,3R,4R)-3-amino-4-propoxycyclohexyl]-3-cyclopentyl-1,2,4-triazol-1-yl]ethanol

2-[5-[(1S,3R,4R)-3-amino-4-propoxycyclohexyl]-3-cyclopentyl-1,2,4-triazol-1-yl]ethanol (PubChem CID 155500739) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-[5-[(1S,3R,4R)-3-amino-4-propoxycyclohexyl]-3-cyclopentyl-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(1S,3R,4R)-3-amino-4-propoxycyclohexyl]-3-cyclopentyl-1,2,4-triazol-1-yl]ethanol
PubChem CID155500739
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name2-[5-[(1S,3R,4R)-3-amino-4-propoxycyclohexyl]-3-cyclopentyl-1,2,4-triazol-1-yl]ethanol
SMILESCCCO[C@@H]1CC[C@H](c2nc(C3CCCC3)nn2CCO)C[C@H]1N
InChIInChI=1S/C18H32N4O2/c1-2-11-24-16-8-7-14(12-15(16)19)18-20-17(13-5-3-4-6-13)21-22(18)9-10-23/h13-16,23H,2-12,19H2,1H3/t14-,15+,16+/m0/s1
InChIKeyXEBNKBSWYSGLDF-ARFHVFGLSA-N
XLogP2.32
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-[(1S,3R,4R)-3-amino-4-propoxycyclohexyl]-3-cyclopentyl-1,2,4-triazol-1-yl]ethanol 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 2-[5-[(1S,3R,4R)-3-amino-4-propoxycyclohexyl]-3-cyclopentyl-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(1S,3R,4R)-3-amino-4-propoxycyclohexyl]-3-cyclopentyl-1,2,4-triazol-1-yl]ethanol (CID 155500739) is 2-[5-[(1S,3R,4R)-3-amino-4-propoxycyclohexyl]-3-cyclopentyl-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(1S,3R,4R)-3-amino-4-propoxycyclohexyl]-3-cyclopentyl-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(1S,3R,4R)-3-amino-4-propoxycyclohexyl]-3-cyclopentyl-1,2,4-triazol-1-yl]ethanol is CCCO[C@@H]1CC[C@H](c2nc(C3CCCC3)nn2CCO)C[C@H]1N.
What is the InChIKey of 2-[5-[(1S,3R,4R)-3-amino-4-propoxycyclohexyl]-3-cyclopentyl-1,2,4-triazol-1-yl]ethanol?
The InChIKey is XEBNKBSWYSGLDF-ARFHVFGLSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-2-11-24-16-8-7-14(12-15(16)19)18-20-17(13-5-3-4-6-13)21-22(18)9-10-23/h13-16,23H,2-12,19H2,1H3/t14-,15+,16+/m0/s1.
What are the key properties of 2-[5-[(1S,3R,4R)-3-amino-4-propoxycyclohexyl]-3-cyclopentyl-1,2,4-triazol-1-yl]ethanol?
2-[5-[(1S,3R,4R)-3-amino-4-propoxycyclohexyl]-3-cyclopentyl-1,2,4-triazol-1-yl]ethanol has a molecular weight of 336.48 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1S,3R,4R)-3-amino-4-propoxycyclohexyl]-3-cyclopentyl-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 155500739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).