6-ethyl-3-methyl-4-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-one

C14H14N4O — CID 135412716

IUPAC6-ethyl-3-methyl-4-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-one
SMILESCCn1nc(-c2ccccc2)c2c(C)[nH]nc2c1=O
InChIInChI=1S/C14H14N4O/c1-3-18-14(19)13-11(9(2)15-16-13)12(17-18)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyGFZGIBACYLJUKV-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.11
Rot. Bonds2

About 6-ethyl-3-methyl-4-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-one

6-ethyl-3-methyl-4-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-one (PubChem CID 135412716) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-ethyl-3-methyl-4-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name6-ethyl-3-methyl-4-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-one
PubChem CID135412716
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name6-ethyl-3-methyl-4-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-one
SMILESCCn1nc(-c2ccccc2)c2c(C)[nH]nc2c1=O
InChIInChI=1S/C14H14N4O/c1-3-18-14(19)13-11(9(2)15-16-13)12(17-18)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyGFZGIBACYLJUKV-UHFFFAOYSA-N
XLogP2.11
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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US10022354, Example 183
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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-4-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 6-ethyl-3-methyl-4-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-one (CID 135412716) is 6-ethyl-3-methyl-4-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 6-ethyl-3-methyl-4-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 6-ethyl-3-methyl-4-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-one is CCn1nc(-c2ccccc2)c2c(C)[nH]nc2c1=O.
What is the InChIKey of 6-ethyl-3-methyl-4-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is GFZGIBACYLJUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-3-18-14(19)13-11(9(2)15-16-13)12(17-18)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,16).
What are the key properties of 6-ethyl-3-methyl-4-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-one?
6-ethyl-3-methyl-4-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 254.29 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-4-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 135412716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).