4-[[2-(triazol-1-yl)anilino]methyl]phenol

C15H14N4O — CID 43676074

IUPAC4-[[2-(triazol-1-yl)anilino]methyl]phenol
SMILESOc1ccc(CNc2ccccc2-n2ccnn2)cc1
InChIInChI=1S/C15H14N4O/c20-13-7-5-12(6-8-13)11-16-14-3-1-2-4-15(14)19-10-9-17-18-19/h1-10,16,20H,11H2
InChIKeyNLHBTLMLELWGER-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.59
Rot. Bonds4

About 4-[[2-(triazol-1-yl)anilino]methyl]phenol

4-[[2-(triazol-1-yl)anilino]methyl]phenol (PubChem CID 43676074) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[[2-(triazol-1-yl)anilino]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(triazol-1-yl)anilino]methyl]phenol
PubChem CID43676074
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-[[2-(triazol-1-yl)anilino]methyl]phenol
SMILESOc1ccc(CNc2ccccc2-n2ccnn2)cc1
InChIInChI=1S/C15H14N4O/c20-13-7-5-12(6-8-13)11-16-14-3-1-2-4-15(14)19-10-9-17-18-19/h1-10,16,20H,11H2
InChIKeyNLHBTLMLELWGER-UHFFFAOYSA-N
XLogP2.59
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(triazol-1-yl)anilino]methyl]phenol?
The IUPAC name of 4-[[2-(triazol-1-yl)anilino]methyl]phenol (CID 43676074) is 4-[[2-(triazol-1-yl)anilino]methyl]phenol.
What is the SMILES notation for 4-[[2-(triazol-1-yl)anilino]methyl]phenol?
The canonical SMILES for 4-[[2-(triazol-1-yl)anilino]methyl]phenol is Oc1ccc(CNc2ccccc2-n2ccnn2)cc1.
What is the InChIKey of 4-[[2-(triazol-1-yl)anilino]methyl]phenol?
The InChIKey is NLHBTLMLELWGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c20-13-7-5-12(6-8-13)11-16-14-3-1-2-4-15(14)19-10-9-17-18-19/h1-10,16,20H,11H2.
What are the key properties of 4-[[2-(triazol-1-yl)anilino]methyl]phenol?
4-[[2-(triazol-1-yl)anilino]methyl]phenol has a molecular weight of 266.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(triazol-1-yl)anilino]methyl]phenol is sourced from PubChem (CID 43676074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).