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

C16H17ClN4O2 — CID 46887424

IUPAC2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one
SMILESCCn1nc(COC)c2c(C)n(-c3ccccc3Cl)nc2c1=O
InChIInChI=1S/C16H17ClN4O2/c1-4-20-16(22)15-14(12(18-20)9-23-3)10(2)21(19-15)13-8-6-5-7-11(13)17/h5-8H,4,9H2,1-3H3
InChIKeyUJDRSYOCCUNRBX-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.71
Rot. Bonds4

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

2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one (PubChem CID 46887424) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one
PubChem CID46887424
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one
SMILESCCn1nc(COC)c2c(C)n(-c3ccccc3Cl)nc2c1=O
InChIInChI=1S/C16H17ClN4O2/c1-4-20-16(22)15-14(12(18-20)9-23-3)10(2)21(19-15)13-8-6-5-7-11(13)17/h5-8H,4,9H2,1-3H3
InChIKeyUJDRSYOCCUNRBX-UHFFFAOYSA-N
XLogP2.71
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.71
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)-3-methylpyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one (CID 46887424) is 2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one is CCn1nc(COC)c2c(C)n(-c3ccccc3Cl)nc2c1=O.
What is the InChIKey of 2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is UJDRSYOCCUNRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-4-20-16(22)15-14(12(18-20)9-23-3)10(2)21(19-15)13-8-6-5-7-11(13)17/h5-8H,4,9H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one?
2-(2-chlorophenyl)-6-ethyl-4-(methoxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 332.79 g/mol, XLogP of 2.71, 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)-3-methylpyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 46887424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).