5-(2-methoxy-5-methylphenyl)-1H-pyrazolo[4,5-d]pyridazin-4-one

C13H12N4O2 — CID 165392987

IUPAC5-(2-methoxy-5-methylphenyl)-1H-pyrazolo[4,5-d]pyridazin-4-one
SMILESCOc1ccc(C)cc1-n1ncc2[nH]ncc2c1=O
InChIInChI=1S/C13H12N4O2/c1-8-3-4-12(19-2)11(5-8)17-13(18)9-6-14-16-10(9)7-15-17/h3-7H,1-2H3,(H,14,16)
InChIKeySMHRLCRESMXQGS-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.43
Rot. Bonds2

About 5-(2-methoxy-5-methylphenyl)-1H-pyrazolo[4,5-d]pyridazin-4-one

5-(2-methoxy-5-methylphenyl)-1H-pyrazolo[4,5-d]pyridazin-4-one (PubChem CID 165392987) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-(2-methoxy-5-methylphenyl)-1H-pyrazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name5-(2-methoxy-5-methylphenyl)-1H-pyrazolo[4,5-d]pyridazin-4-one
PubChem CID165392987
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name5-(2-methoxy-5-methylphenyl)-1H-pyrazolo[4,5-d]pyridazin-4-one
SMILESCOc1ccc(C)cc1-n1ncc2[nH]ncc2c1=O
InChIInChI=1S/C13H12N4O2/c1-8-3-4-12(19-2)11(5-8)17-13(18)9-6-14-16-10(9)7-15-17/h3-7H,1-2H3,(H,14,16)
InChIKeySMHRLCRESMXQGS-UHFFFAOYSA-N
XLogP1.43
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 46941913
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N-(1H-indazol-6-yl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108788368
4-imino-1-(2-methoxy-5-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine
CID 98469445
2-(2-methoxy-5-methylphenyl)-1,2-benzothiazol-3-one
CID 129121672
[3-(2-methoxy-5-methylphenyl)triazol-4-yl]methanamine
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1-(2-methoxy-5-methylphenyl)-4-(oxetan-3-yl)tetrazol-5-one
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6,7-dimethoxy-1H-cinnolin-4-one
CID 12932777

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-5-methylphenyl)-1H-pyrazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 5-(2-methoxy-5-methylphenyl)-1H-pyrazolo[4,5-d]pyridazin-4-one (CID 165392987) is 5-(2-methoxy-5-methylphenyl)-1H-pyrazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 5-(2-methoxy-5-methylphenyl)-1H-pyrazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 5-(2-methoxy-5-methylphenyl)-1H-pyrazolo[4,5-d]pyridazin-4-one is COc1ccc(C)cc1-n1ncc2[nH]ncc2c1=O.
What is the InChIKey of 5-(2-methoxy-5-methylphenyl)-1H-pyrazolo[4,5-d]pyridazin-4-one?
The InChIKey is SMHRLCRESMXQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-8-3-4-12(19-2)11(5-8)17-13(18)9-6-14-16-10(9)7-15-17/h3-7H,1-2H3,(H,14,16).
What are the key properties of 5-(2-methoxy-5-methylphenyl)-1H-pyrazolo[4,5-d]pyridazin-4-one?
5-(2-methoxy-5-methylphenyl)-1H-pyrazolo[4,5-d]pyridazin-4-one has a molecular weight of 256.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-5-methylphenyl)-1H-pyrazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 165392987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).