[1-[5-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methanol

C13H18F3N3O2 — CID 74235804

IUPAC[1-[5-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methanol
SMILESOCC1(c2nc(C3CCOCC3)nn2CC(F)(F)F)CC1
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)7-19-11(12(8-20)3-4-12)17-10(18-19)9-1-5-21-6-2-9/h9,20H,1-8H2
InChIKeyPYJNVLAYQYKMIT-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.76
Rot. Bonds4

About [1-[5-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methanol

[1-[5-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methanol (PubChem CID 74235804) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is [1-[5-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[5-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methanol
PubChem CID74235804
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name[1-[5-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methanol
SMILESOCC1(c2nc(C3CCOCC3)nn2CC(F)(F)F)CC1
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)7-19-11(12(8-20)3-4-12)17-10(18-19)9-1-5-21-6-2-9/h9,20H,1-8H2
InChIKeyPYJNVLAYQYKMIT-UHFFFAOYSA-N
XLogP1.76
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[5-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methanol 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-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methanol?
The IUPAC name of [1-[5-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methanol (CID 74235804) is [1-[5-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methanol.
What is the SMILES notation for [1-[5-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methanol?
The canonical SMILES for [1-[5-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methanol is OCC1(c2nc(C3CCOCC3)nn2CC(F)(F)F)CC1.
What is the InChIKey of [1-[5-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methanol?
The InChIKey is PYJNVLAYQYKMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c14-13(15,16)7-19-11(12(8-20)3-4-12)17-10(18-19)9-1-5-21-6-2-9/h9,20H,1-8H2.
What are the key properties of [1-[5-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methanol?
[1-[5-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methanol has a molecular weight of 305.30 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]cyclopropyl]methanol is sourced from PubChem (CID 74235804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).