5-methyl-1H-pyrido[2,3-d]pyridazin-2-one

C8H7N3O — CID 118521217

IUPAC5-methyl-1H-pyrido[2,3-d]pyridazin-2-one
SMILESCc1nncc2[nH]c(=O)ccc12
InChIInChI=1S/C8H7N3O/c1-5-6-2-3-8(12)10-7(6)4-9-11-5/h2-4H,1H3,(H,10,12)
InChIKeyJEJSGJNJILWBPV-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.63
Rot. Bonds

About 5-methyl-1H-pyrido[2,3-d]pyridazin-2-one

5-methyl-1H-pyrido[2,3-d]pyridazin-2-one (PubChem CID 118521217) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-methyl-1H-pyrido[2,3-d]pyridazin-2-one.

Molecular Properties

Compound Name5-methyl-1H-pyrido[2,3-d]pyridazin-2-one
PubChem CID118521217
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name5-methyl-1H-pyrido[2,3-d]pyridazin-2-one
SMILESCc1nncc2[nH]c(=O)ccc12
InChIInChI=1S/C8H7N3O/c1-5-6-2-3-8(12)10-7(6)4-9-11-5/h2-4H,1H3,(H,10,12)
InChIKeyJEJSGJNJILWBPV-UHFFFAOYSA-N
XLogP0.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-pyrido[2,3-d]pyridazin-2-one?
The IUPAC name of 5-methyl-1H-pyrido[2,3-d]pyridazin-2-one (CID 118521217) is 5-methyl-1H-pyrido[2,3-d]pyridazin-2-one.
What is the SMILES notation for 5-methyl-1H-pyrido[2,3-d]pyridazin-2-one?
The canonical SMILES for 5-methyl-1H-pyrido[2,3-d]pyridazin-2-one is Cc1nncc2[nH]c(=O)ccc12.
What is the InChIKey of 5-methyl-1H-pyrido[2,3-d]pyridazin-2-one?
The InChIKey is JEJSGJNJILWBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-5-6-2-3-8(12)10-7(6)4-9-11-5/h2-4H,1H3,(H,10,12).
What are the key properties of 5-methyl-1H-pyrido[2,3-d]pyridazin-2-one?
5-methyl-1H-pyrido[2,3-d]pyridazin-2-one has a molecular weight of 161.16 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrido[2,3-d]pyridazin-2-one is sourced from PubChem (CID 118521217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).