4-chloro-6-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol

C15H9ClN4O2 — CID 136981521

IUPAC4-chloro-6-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol
SMILESOc1cc(O)c(-c2nnc3c4ccccc4cnn23)cc1Cl
InChIInChI=1S/C15H9ClN4O2/c16-11-5-10(12(21)6-13(11)22)15-19-18-14-9-4-2-1-3-8(9)7-17-20(14)15/h1-7,21-22H
InChIKeyOJUPICUBEPEFNY-UHFFFAOYSA-N
MW312.72 g/mol
LogP3.01
Rot. Bonds1

About 4-chloro-6-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol

4-chloro-6-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol (PubChem CID 136981521) has the molecular formula C15H9ClN4O2 and a molecular weight of 312.72 g/mol. Its IUPAC name is 4-chloro-6-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-chloro-6-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol
PubChem CID136981521
Molecular FormulaC15H9ClN4O2
Molecular Weight312.72 g/mol
Exact Mass312.04
IUPAC Name4-chloro-6-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol
SMILESOc1cc(O)c(-c2nnc3c4ccccc4cnn23)cc1Cl
InChIInChI=1S/C15H9ClN4O2/c16-11-5-10(12(21)6-13(11)22)15-19-18-14-9-4-2-1-3-8(9)7-17-20(14)15/h1-7,21-22H
InChIKeyOJUPICUBEPEFNY-UHFFFAOYSA-N
XLogP3.01
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-6-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol 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 4-chloro-6-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol?
The IUPAC name of 4-chloro-6-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol (CID 136981521) is 4-chloro-6-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol.
What is the SMILES notation for 4-chloro-6-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol?
The canonical SMILES for 4-chloro-6-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol is Oc1cc(O)c(-c2nnc3c4ccccc4cnn23)cc1Cl.
What is the InChIKey of 4-chloro-6-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol?
The InChIKey is OJUPICUBEPEFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O2/c16-11-5-10(12(21)6-13(11)22)15-19-18-14-9-4-2-1-3-8(9)7-17-20(14)15/h1-7,21-22H.
What are the key properties of 4-chloro-6-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol?
4-chloro-6-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol has a molecular weight of 312.72 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol is sourced from PubChem (CID 136981521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).