6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one

C14H14N4O — CID 16846087

IUPAC6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
SMILESCCn1nc(C)c2cnn(-c3ccccc3)c2c1=O
InChIInChI=1S/C14H14N4O/c1-3-17-14(19)13-12(10(2)16-17)9-15-18(13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyRDUCODHGMSBXOJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.91
Rot. Bonds2

About 6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one

6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one (PubChem CID 16846087) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
PubChem CID16846087
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
SMILESCCn1nc(C)c2cnn(-c3ccccc3)c2c1=O
InChIInChI=1S/C14H14N4O/c1-3-17-14(19)13-12(10(2)16-17)9-15-18(13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyRDUCODHGMSBXOJ-UHFFFAOYSA-N
XLogP1.91
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one (CID 16846087) is 6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one is CCn1nc(C)c2cnn(-c3ccccc3)c2c1=O.
What is the InChIKey of 6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one?
The InChIKey is RDUCODHGMSBXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-3-17-14(19)13-12(10(2)16-17)9-15-18(13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3.
What are the key properties of 6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one?
6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one has a molecular weight of 254.29 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 16846087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).