2-(6-methoxy-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylphthalazin-1-one

C14H12N6O2 — CID 15904512

IUPAC2-(6-methoxy-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylphthalazin-1-one
SMILESCOc1cc2nnc(-n3nc(C)c4ccccc4c3=O)n2[nH]1
InChIInChI=1S/C14H12N6O2/c1-8-9-5-3-4-6-10(9)13(21)20(17-8)14-16-15-11-7-12(22-2)18-19(11)14/h3-7,18H,1-2H3
InChIKeyKRHVFUIHLCRBAY-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.07
Rot. Bonds2

About 2-(6-methoxy-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylphthalazin-1-one

2-(6-methoxy-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylphthalazin-1-one (PubChem CID 15904512) has the molecular formula C14H12N6O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-(6-methoxy-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylphthalazin-1-one.

Molecular Properties

Compound Name2-(6-methoxy-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylphthalazin-1-one
PubChem CID15904512
Molecular FormulaC14H12N6O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name2-(6-methoxy-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylphthalazin-1-one
SMILESCOc1cc2nnc(-n3nc(C)c4ccccc4c3=O)n2[nH]1
InChIInChI=1S/C14H12N6O2/c1-8-9-5-3-4-6-10(9)13(21)20(17-8)14-16-15-11-7-12(22-2)18-19(11)14/h3-7,18H,1-2H3
InChIKeyKRHVFUIHLCRBAY-UHFFFAOYSA-N
XLogP1.07
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(6-methoxy-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylphthalazin-1-one 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 2-(6-methoxy-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylphthalazin-1-one?
The IUPAC name of 2-(6-methoxy-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylphthalazin-1-one (CID 15904512) is 2-(6-methoxy-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylphthalazin-1-one.
What is the SMILES notation for 2-(6-methoxy-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylphthalazin-1-one?
The canonical SMILES for 2-(6-methoxy-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylphthalazin-1-one is COc1cc2nnc(-n3nc(C)c4ccccc4c3=O)n2[nH]1.
What is the InChIKey of 2-(6-methoxy-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylphthalazin-1-one?
The InChIKey is KRHVFUIHLCRBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O2/c1-8-9-5-3-4-6-10(9)13(21)20(17-8)14-16-15-11-7-12(22-2)18-19(11)14/h3-7,18H,1-2H3.
What are the key properties of 2-(6-methoxy-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylphthalazin-1-one?
2-(6-methoxy-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylphthalazin-1-one has a molecular weight of 296.29 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)-4-methylphthalazin-1-one is sourced from PubChem (CID 15904512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).