5-fluoro-2-[[[3-(2H-triazol-4-yl)-2-pyridinyl]amino]methyl]phenol

C14H12FN5O — CID 171807241

IUPAC5-fluoro-2-[[[3-(2H-triazol-4-yl)-2-pyridinyl]amino]methyl]phenol
SMILESOc1cc(F)ccc1CNc1ncccc1-c1cn[nH]n1
InChIInChI=1S/C14H12FN5O/c15-10-4-3-9(13(21)6-10)7-17-14-11(2-1-5-16-14)12-8-18-20-19-12/h1-6,8,21H,7H2,(H,16,17)(H,18,19,20)
InChIKeyTUKSARDPXKOEOZ-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.32
Rot. Bonds4

About 5-fluoro-2-[[[3-(2H-triazol-4-yl)-2-pyridinyl]amino]methyl]phenol

5-fluoro-2-[[[3-(2H-triazol-4-yl)-2-pyridinyl]amino]methyl]phenol (PubChem CID 171807241) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-fluoro-2-[[[3-(2H-triazol-4-yl)-2-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[[[3-(2H-triazol-4-yl)-2-pyridinyl]amino]methyl]phenol
PubChem CID171807241
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name5-fluoro-2-[[[3-(2H-triazol-4-yl)-2-pyridinyl]amino]methyl]phenol
SMILESOc1cc(F)ccc1CNc1ncccc1-c1cn[nH]n1
InChIInChI=1S/C14H12FN5O/c15-10-4-3-9(13(21)6-10)7-17-14-11(2-1-5-16-14)12-8-18-20-19-12/h1-6,8,21H,7H2,(H,16,17)(H,18,19,20)
InChIKeyTUKSARDPXKOEOZ-UHFFFAOYSA-N
XLogP2.32
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 5-fluoro-2-[[[3-(2H-triazol-4-yl)-2-pyridinyl]amino]methyl]phenol 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-fluoro-2-[[[3-(2H-triazol-4-yl)-2-pyridinyl]amino]methyl]phenol?
The IUPAC name of 5-fluoro-2-[[[3-(2H-triazol-4-yl)-2-pyridinyl]amino]methyl]phenol (CID 171807241) is 5-fluoro-2-[[[3-(2H-triazol-4-yl)-2-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 5-fluoro-2-[[[3-(2H-triazol-4-yl)-2-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 5-fluoro-2-[[[3-(2H-triazol-4-yl)-2-pyridinyl]amino]methyl]phenol is Oc1cc(F)ccc1CNc1ncccc1-c1cn[nH]n1.
What is the InChIKey of 5-fluoro-2-[[[3-(2H-triazol-4-yl)-2-pyridinyl]amino]methyl]phenol?
The InChIKey is TUKSARDPXKOEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c15-10-4-3-9(13(21)6-10)7-17-14-11(2-1-5-16-14)12-8-18-20-19-12/h1-6,8,21H,7H2,(H,16,17)(H,18,19,20).
What are the key properties of 5-fluoro-2-[[[3-(2H-triazol-4-yl)-2-pyridinyl]amino]methyl]phenol?
5-fluoro-2-[[[3-(2H-triazol-4-yl)-2-pyridinyl]amino]methyl]phenol has a molecular weight of 285.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[[3-(2H-triazol-4-yl)-2-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 171807241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).