1-benzyl-2-methyl-6H-pyrrolo[2,3-d]pyridazin-7-one

C14H13N3O — CID 19437775

IUPAC1-benzyl-2-methyl-6H-pyrrolo[2,3-d]pyridazin-7-one
SMILESCc1cc2cn[nH]c(=O)c2n1Cc1ccccc1
InChIInChI=1S/C14H13N3O/c1-10-7-12-8-15-16-14(18)13(12)17(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,18)
InChIKeyWUPQHGQGROAZJO-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.08
Rot. Bonds2

About 1-benzyl-2-methyl-6H-pyrrolo[2,3-d]pyridazin-7-one

1-benzyl-2-methyl-6H-pyrrolo[2,3-d]pyridazin-7-one (PubChem CID 19437775) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-benzyl-2-methyl-6H-pyrrolo[2,3-d]pyridazin-7-one.

Molecular Properties

Compound Name1-benzyl-2-methyl-6H-pyrrolo[2,3-d]pyridazin-7-one
PubChem CID19437775
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name1-benzyl-2-methyl-6H-pyrrolo[2,3-d]pyridazin-7-one
SMILESCc1cc2cn[nH]c(=O)c2n1Cc1ccccc1
InChIInChI=1S/C14H13N3O/c1-10-7-12-8-15-16-14(18)13(12)17(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,18)
InChIKeyWUPQHGQGROAZJO-UHFFFAOYSA-N
XLogP2.08
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-6H-pyrrolo[2,3-d]pyridazin-7-one?
The IUPAC name of 1-benzyl-2-methyl-6H-pyrrolo[2,3-d]pyridazin-7-one (CID 19437775) is 1-benzyl-2-methyl-6H-pyrrolo[2,3-d]pyridazin-7-one.
What is the SMILES notation for 1-benzyl-2-methyl-6H-pyrrolo[2,3-d]pyridazin-7-one?
The canonical SMILES for 1-benzyl-2-methyl-6H-pyrrolo[2,3-d]pyridazin-7-one is Cc1cc2cn[nH]c(=O)c2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methyl-6H-pyrrolo[2,3-d]pyridazin-7-one?
The InChIKey is WUPQHGQGROAZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10-7-12-8-15-16-14(18)13(12)17(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of 1-benzyl-2-methyl-6H-pyrrolo[2,3-d]pyridazin-7-one?
1-benzyl-2-methyl-6H-pyrrolo[2,3-d]pyridazin-7-one has a molecular weight of 239.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-6H-pyrrolo[2,3-d]pyridazin-7-one is sourced from PubChem (CID 19437775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).