2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one

C15H15ClN4O2 — CID 46887125

IUPAC2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one
SMILESCCn1nc(COC)c2cn(-c3ccccc3Cl)nc2c1=O
InChIInChI=1S/C15H15ClN4O2/c1-3-19-15(21)14-10(12(17-19)9-22-2)8-20(18-14)13-7-5-4-6-11(13)16/h4-8H,3,9H2,1-2H3
InChIKeyYWPXTBLRGSBVTO-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.40
Rot. Bonds4

About 2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one

2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one (PubChem CID 46887125) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one
PubChem CID46887125
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one
SMILESCCn1nc(COC)c2cn(-c3ccccc3Cl)nc2c1=O
InChIInChI=1S/C15H15ClN4O2/c1-3-19-15(21)14-10(12(17-19)9-22-2)8-20(18-14)13-7-5-4-6-11(13)16/h4-8H,3,9H2,1-2H3
InChIKeyYWPXTBLRGSBVTO-UHFFFAOYSA-N
XLogP2.40
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one (CID 46887125) is 2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one is CCn1nc(COC)c2cn(-c3ccccc3Cl)nc2c1=O.
What is the InChIKey of 2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is YWPXTBLRGSBVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-3-19-15(21)14-10(12(17-19)9-22-2)8-20(18-14)13-7-5-4-6-11(13)16/h4-8H,3,9H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one?
2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 318.76 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)pyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 46887125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).