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

C16H12N4O2 — CID 154402484

IUPAC2-methyl-4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol
SMILESCc1c(O)ccc(-c2nnc3c4ccccc4cnn23)c1O
InChIInChI=1S/C16H12N4O2/c1-9-13(21)7-6-12(14(9)22)16-19-18-15-11-5-3-2-4-10(11)8-17-20(15)16/h2-8,21-22H,1H3
InChIKeyVWUQUCIGTXYKCL-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.66
Rot. Bonds1

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

2-methyl-4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol (PubChem CID 154402484) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-methyl-4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol.

Molecular Properties

Compound Name2-methyl-4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol
PubChem CID154402484
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name2-methyl-4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol
SMILESCc1c(O)ccc(-c2nnc3c4ccccc4cnn23)c1O
InChIInChI=1S/C16H12N4O2/c1-9-13(21)7-6-12(14(9)22)16-19-18-15-11-5-3-2-4-10(11)8-17-20(15)16/h2-8,21-22H,1H3
InChIKeyVWUQUCIGTXYKCL-UHFFFAOYSA-N
XLogP2.66
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-([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

Related Compounds

Phenol, 4-(6-(1-pyrrolidinyl)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
CID 3071213
Phenol, 4-(6-(bis(2-methoxyethyl)amino)-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-
CID 3087236
(E)-4-((2-([1,2,4]triazolo[3,4-a]phthalazin-6-yl)hydrazono)methyl)phenol
CID 135630269
4-(3-Methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)phenol
CID 1859733
4-[[[3-(Trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]diazenyl]methyl]benzene-1,3-diol
CID 45267801
2-[3-(1-isoquinolyl)-1H-1,2,4-triazol-5-yl]-4-methyl-benzene-1,3-diol
CID 135429502
4-Chloro-6-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol
CID 136981521
4-([1,2,4]Triazolo[3,4-a]phthalazin-3-yl)benzene-1,2,3-triol
CID 136981522
4-Methyl-6-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol
CID 136981523
4-([1,2,4]Triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol
CID 154402485
4-[10-(4-Fluorophenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]benzene-1,3-diol
CID 1833174
4-[([1,2,4]Triazolo[3,4-a]phthalazin-6-ylhydrazinylidene)methyl]phenol
CID 1420400

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol?
The IUPAC name of 2-methyl-4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol (CID 154402484) is 2-methyl-4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol.
What is the SMILES notation for 2-methyl-4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol?
The canonical SMILES for 2-methyl-4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol is Cc1c(O)ccc(-c2nnc3c4ccccc4cnn23)c1O.
What is the InChIKey of 2-methyl-4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol?
The InChIKey is VWUQUCIGTXYKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-9-13(21)7-6-12(14(9)22)16-19-18-15-11-5-3-2-4-10(11)8-17-20(15)16/h2-8,21-22H,1H3.
What are the key properties of 2-methyl-4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol?
2-methyl-4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol has a molecular weight of 292.30 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzene-1,3-diol is sourced from PubChem (CID 154402484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).