[5-(2-fluorophenyl)-3-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]triazol-4-yl]methanol

C19H25FN4O2 — CID 126733331

IUPAC[5-(2-fluorophenyl)-3-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]triazol-4-yl]methanol
SMILESOCc1c(-c2ccccc2F)nnn1C1CCN(CC2CCOCC2)C1
InChIInChI=1S/C19H25FN4O2/c20-17-4-2-1-3-16(17)19-18(13-25)24(22-21-19)15-5-8-23(12-15)11-14-6-9-26-10-7-14/h1-4,14-15,25H,5-13H2
InChIKeyMQCGEFNMWUYVAP-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.25
Rot. Bonds5

About [5-(2-fluorophenyl)-3-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]triazol-4-yl]methanol

[5-(2-fluorophenyl)-3-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]triazol-4-yl]methanol (PubChem CID 126733331) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-3-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-3-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]triazol-4-yl]methanol
PubChem CID126733331
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name[5-(2-fluorophenyl)-3-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]triazol-4-yl]methanol
SMILESOCc1c(-c2ccccc2F)nnn1C1CCN(CC2CCOCC2)C1
InChIInChI=1S/C19H25FN4O2/c20-17-4-2-1-3-16(17)19-18(13-25)24(22-21-19)15-5-8-23(12-15)11-14-6-9-26-10-7-14/h1-4,14-15,25H,5-13H2
InChIKeyMQCGEFNMWUYVAP-UHFFFAOYSA-N
XLogP2.25
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(2-fluorophenyl)-3-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]triazol-4-yl]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 [5-(2-fluorophenyl)-3-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]triazol-4-yl]methanol?
The IUPAC name of [5-(2-fluorophenyl)-3-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]triazol-4-yl]methanol (CID 126733331) is [5-(2-fluorophenyl)-3-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]triazol-4-yl]methanol.
What is the SMILES notation for [5-(2-fluorophenyl)-3-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]triazol-4-yl]methanol?
The canonical SMILES for [5-(2-fluorophenyl)-3-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]triazol-4-yl]methanol is OCc1c(-c2ccccc2F)nnn1C1CCN(CC2CCOCC2)C1.
What is the InChIKey of [5-(2-fluorophenyl)-3-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]triazol-4-yl]methanol?
The InChIKey is MQCGEFNMWUYVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c20-17-4-2-1-3-16(17)19-18(13-25)24(22-21-19)15-5-8-23(12-15)11-14-6-9-26-10-7-14/h1-4,14-15,25H,5-13H2.
What are the key properties of [5-(2-fluorophenyl)-3-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]triazol-4-yl]methanol?
[5-(2-fluorophenyl)-3-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]triazol-4-yl]methanol has a molecular weight of 360.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-3-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]triazol-4-yl]methanol is sourced from PubChem (CID 126733331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).