[1-(4-fluoroanilino)-5-methyltriazol-4-yl]methanol

C10H11FN4O — CID 139196630

IUPAC[1-(4-fluoroanilino)-5-methyltriazol-4-yl]methanol
SMILESCc1c(CO)nnn1Nc1ccc(F)cc1
InChIInChI=1S/C10H11FN4O/c1-7-10(6-16)12-14-15(7)13-9-4-2-8(11)3-5-9/h2-5,13,16H,6H2,1H3
InChIKeyPJMQJGBPWCGUCS-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.09
Rot. Bonds3

About [1-(4-fluoroanilino)-5-methyltriazol-4-yl]methanol

[1-(4-fluoroanilino)-5-methyltriazol-4-yl]methanol (PubChem CID 139196630) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is [1-(4-fluoroanilino)-5-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-fluoroanilino)-5-methyltriazol-4-yl]methanol
PubChem CID139196630
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name[1-(4-fluoroanilino)-5-methyltriazol-4-yl]methanol
SMILESCc1c(CO)nnn1Nc1ccc(F)cc1
InChIInChI=1S/C10H11FN4O/c1-7-10(6-16)12-14-15(7)13-9-4-2-8(11)3-5-9/h2-5,13,16H,6H2,1H3
InChIKeyPJMQJGBPWCGUCS-UHFFFAOYSA-N
XLogP1.09
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(4-fluoroanilino)-5-methyltriazol-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 [1-(4-fluoroanilino)-5-methyltriazol-4-yl]methanol?
The IUPAC name of [1-(4-fluoroanilino)-5-methyltriazol-4-yl]methanol (CID 139196630) is [1-(4-fluoroanilino)-5-methyltriazol-4-yl]methanol.
What is the SMILES notation for [1-(4-fluoroanilino)-5-methyltriazol-4-yl]methanol?
The canonical SMILES for [1-(4-fluoroanilino)-5-methyltriazol-4-yl]methanol is Cc1c(CO)nnn1Nc1ccc(F)cc1.
What is the InChIKey of [1-(4-fluoroanilino)-5-methyltriazol-4-yl]methanol?
The InChIKey is PJMQJGBPWCGUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-7-10(6-16)12-14-15(7)13-9-4-2-8(11)3-5-9/h2-5,13,16H,6H2,1H3.
What are the key properties of [1-(4-fluoroanilino)-5-methyltriazol-4-yl]methanol?
[1-(4-fluoroanilino)-5-methyltriazol-4-yl]methanol has a molecular weight of 222.22 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoroanilino)-5-methyltriazol-4-yl]methanol is sourced from PubChem (CID 139196630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).