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

C8H7N3O — CID 177000100

IUPAC3-methyl-1H-pyrido[2,3-d]pyridazin-2-one
SMILESCc1cc2cnncc2[nH]c1=O
InChIInChI=1S/C8H7N3O/c1-5-2-6-3-9-10-4-7(6)11-8(5)12/h2-4H,1H3,(H,11,12)
InChIKeyYJVZHURFYJLZHX-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.63
Rot. Bonds

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

3-methyl-1H-pyrido[2,3-d]pyridazin-2-one (PubChem CID 177000100) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-methyl-1H-pyrido[2,3-d]pyridazin-2-one.

Molecular Properties

Compound Name3-methyl-1H-pyrido[2,3-d]pyridazin-2-one
PubChem CID177000100
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name3-methyl-1H-pyrido[2,3-d]pyridazin-2-one
SMILESCc1cc2cnncc2[nH]c1=O
InChIInChI=1S/C8H7N3O/c1-5-2-6-3-9-10-4-7(6)11-8(5)12/h2-4H,1H3,(H,11,12)
InChIKeyYJVZHURFYJLZHX-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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Related Compounds

Pyrido[2,3-d]pyridazinone
CID 18186441
Acetoxypyrido[2,3-d]pyridazinone
CID 129705909
2-methyl-N-pyridazin-4-ylprop-2-enamide
CID 59502647
1-Methylpyrido[2,3-d]pyridazin-2-one
CID 67003493
5-ethyl-1H-pyrido[2,3-d]pyridazin-2-one
CID 67518949
5-propan-2-yl-1H-pyrido[2,3-d]pyridazin-2-one
CID 90334258
5-methyl-1H-pyrido[2,3-d]pyridazin-2-one
CID 118521217
8-methyl-1H-pyrido[2,3-d]pyridazin-2-one
CID 123144248
1,2-Dihydropyrido[2,3-d]pyridazine
CID 123540466
N-(5-methylpyridazin-4-yl)propanamide
CID 130718680
1,2-Dihydropyrido[2,3-d]pyridazine-3-carboxylic acid
CID 143949855
7-ethyl-5H-pyrido[3,2-c]pyridazin-6-one
CID 176163509

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-pyrido[2,3-d]pyridazin-2-one?
The IUPAC name of 3-methyl-1H-pyrido[2,3-d]pyridazin-2-one (CID 177000100) is 3-methyl-1H-pyrido[2,3-d]pyridazin-2-one.
What is the SMILES notation for 3-methyl-1H-pyrido[2,3-d]pyridazin-2-one?
The canonical SMILES for 3-methyl-1H-pyrido[2,3-d]pyridazin-2-one is Cc1cc2cnncc2[nH]c1=O.
What is the InChIKey of 3-methyl-1H-pyrido[2,3-d]pyridazin-2-one?
The InChIKey is YJVZHURFYJLZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-5-2-6-3-9-10-4-7(6)11-8(5)12/h2-4H,1H3,(H,11,12).
What are the key properties of 3-methyl-1H-pyrido[2,3-d]pyridazin-2-one?
3-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 3-methyl-1H-pyrido[2,3-d]pyridazin-2-one is sourced from PubChem (CID 177000100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).