3-[(5-phenyl-2H-triazol-4-yl)methylamino]phenol

C15H14N4O — CID 63644198

IUPAC3-[(5-phenyl-2H-triazol-4-yl)methylamino]phenol
SMILESOc1cccc(NCc2n[nH]nc2-c2ccccc2)c1
InChIInChI=1S/C15H14N4O/c20-13-8-4-7-12(9-13)16-10-14-15(18-19-17-14)11-5-2-1-3-6-11/h1-9,16,20H,10H2,(H,17,18,19)
InChIKeyLCLGPGDPFXDTJK-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.79
Rot. Bonds4

About 3-[(5-phenyl-2H-triazol-4-yl)methylamino]phenol

3-[(5-phenyl-2H-triazol-4-yl)methylamino]phenol (PubChem CID 63644198) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(5-phenyl-2H-triazol-4-yl)methylamino]phenol.

Molecular Properties

Compound Name3-[(5-phenyl-2H-triazol-4-yl)methylamino]phenol
PubChem CID63644198
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-[(5-phenyl-2H-triazol-4-yl)methylamino]phenol
SMILESOc1cccc(NCc2n[nH]nc2-c2ccccc2)c1
InChIInChI=1S/C15H14N4O/c20-13-8-4-7-12(9-13)16-10-14-15(18-19-17-14)11-5-2-1-3-6-11/h1-9,16,20H,10H2,(H,17,18,19)
InChIKeyLCLGPGDPFXDTJK-UHFFFAOYSA-N
XLogP2.79
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(5-phenyl-2H-triazol-4-yl)methylamino]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 3-[(5-phenyl-2H-triazol-4-yl)methylamino]phenol?
The IUPAC name of 3-[(5-phenyl-2H-triazol-4-yl)methylamino]phenol (CID 63644198) is 3-[(5-phenyl-2H-triazol-4-yl)methylamino]phenol.
What is the SMILES notation for 3-[(5-phenyl-2H-triazol-4-yl)methylamino]phenol?
The canonical SMILES for 3-[(5-phenyl-2H-triazol-4-yl)methylamino]phenol is Oc1cccc(NCc2n[nH]nc2-c2ccccc2)c1.
What is the InChIKey of 3-[(5-phenyl-2H-triazol-4-yl)methylamino]phenol?
The InChIKey is LCLGPGDPFXDTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c20-13-8-4-7-12(9-13)16-10-14-15(18-19-17-14)11-5-2-1-3-6-11/h1-9,16,20H,10H2,(H,17,18,19).
What are the key properties of 3-[(5-phenyl-2H-triazol-4-yl)methylamino]phenol?
3-[(5-phenyl-2H-triazol-4-yl)methylamino]phenol has a molecular weight of 266.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-phenyl-2H-triazol-4-yl)methylamino]phenol is sourced from PubChem (CID 63644198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).