4-(4H-triazin-3-yl)phenol

C9H9N3O — CID 143879569

IUPAC4-(4H-triazin-3-yl)phenol
SMILESOc1ccc(N2CC=CN=N2)cc1
InChIInChI=1S/C9H9N3O/c13-9-4-2-8(3-5-9)12-7-1-6-10-11-12/h1-6,13H,7H2
InChIKeyORZGIWJPYKHCAS-UHFFFAOYSA-N
MW175.19 g/mol
LogP2.09
Rot. Bonds1

About 4-(4H-triazin-3-yl)phenol

4-(4H-triazin-3-yl)phenol (PubChem CID 143879569) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-(4H-triazin-3-yl)phenol.

Molecular Properties

Compound Name4-(4H-triazin-3-yl)phenol
PubChem CID143879569
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4-(4H-triazin-3-yl)phenol
SMILESOc1ccc(N2CC=CN=N2)cc1
InChIInChI=1S/C9H9N3O/c13-9-4-2-8(3-5-9)12-7-1-6-10-11-12/h1-6,13H,7H2
InChIKeyORZGIWJPYKHCAS-UHFFFAOYSA-N
XLogP2.09
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4H-triazin-3-yl)phenol?
The IUPAC name of 4-(4H-triazin-3-yl)phenol (CID 143879569) is 4-(4H-triazin-3-yl)phenol.
What is the SMILES notation for 4-(4H-triazin-3-yl)phenol?
The canonical SMILES for 4-(4H-triazin-3-yl)phenol is Oc1ccc(N2CC=CN=N2)cc1.
What is the InChIKey of 4-(4H-triazin-3-yl)phenol?
The InChIKey is ORZGIWJPYKHCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c13-9-4-2-8(3-5-9)12-7-1-6-10-11-12/h1-6,13H,7H2.
What are the key properties of 4-(4H-triazin-3-yl)phenol?
4-(4H-triazin-3-yl)phenol has a molecular weight of 175.19 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4H-triazin-3-yl)phenol is sourced from PubChem (CID 143879569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).