6-methyl-8-propan-2-ylpyrido[2,3-d]pyridazin-5-one

C11H13N3O — CID 145029121

IUPAC6-methyl-8-propan-2-ylpyrido[2,3-d]pyridazin-5-one
SMILESCC(C)c1nn(C)c(=O)c2cccnc12
InChIInChI=1S/C11H13N3O/c1-7(2)9-10-8(5-4-6-12-10)11(15)14(3)13-9/h4-7H,1-3H3
InChIKeyBMUGWPAKFFHIDJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.45
Rot. Bonds1

About 6-methyl-8-propan-2-ylpyrido[2,3-d]pyridazin-5-one

6-methyl-8-propan-2-ylpyrido[2,3-d]pyridazin-5-one (PubChem CID 145029121) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 6-methyl-8-propan-2-ylpyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name6-methyl-8-propan-2-ylpyrido[2,3-d]pyridazin-5-one
PubChem CID145029121
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name6-methyl-8-propan-2-ylpyrido[2,3-d]pyridazin-5-one
SMILESCC(C)c1nn(C)c(=O)c2cccnc12
InChIInChI=1S/C11H13N3O/c1-7(2)9-10-8(5-4-6-12-10)11(15)14(3)13-9/h4-7H,1-3H3
InChIKeyBMUGWPAKFFHIDJ-UHFFFAOYSA-N
XLogP1.45
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine
CID 171544275
8-(hexan-3-ylamino)-6-methylpyrido[2,3-d]pyridazin-5-one
CID 145029081
benzene;8-[1-(dimethylamino)propan-2-ylamino]-6-methylpyrido[2,3-d]pyridazin-5-one;ethane;prop-1-ene
CID 145029065
8-hydroxy-6-methyl-1,6-naphthyridin-5-one
CID 59256580
(2S)-2-(3-methyl-4-oxophthalazin-1-yl)propanoic acid
CID 819376
8-[[(1S,2S)-1-(dimethylamino)-1-(4-propanoylphenyl)propan-2-yl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one
CID 145029213
8-[[(2S)-2-(dimethylamino)cyclohexyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one
CID 145029315
4-[[(1R,2S)-1-(dimethylamino)-1-pyridin-2-ylpropan-2-yl]amino]-2-methylphthalazin-1-one
CID 118928730
buta-1,3-diene;8-[[2-(dimethylamino)-2-phenylethyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one
CID 145029079
5-ethyl-7-methyl-1,7-naphthyridin-8-one
CID 145148280
bis(1,4-di(propan-2-yl)isoquinoline);tris(1,4-di(propan-2-yl)naphthalene);bis(5,8-di(propan-2-yl)quinoline)
CID 161240222
2-methyl-4-pyridin-3-ylphthalazin-1-one
CID 10060065

Frequently Asked Questions

What is the IUPAC name of 6-methyl-8-propan-2-ylpyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 6-methyl-8-propan-2-ylpyrido[2,3-d]pyridazin-5-one (CID 145029121) is 6-methyl-8-propan-2-ylpyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 6-methyl-8-propan-2-ylpyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 6-methyl-8-propan-2-ylpyrido[2,3-d]pyridazin-5-one is CC(C)c1nn(C)c(=O)c2cccnc12.
What is the InChIKey of 6-methyl-8-propan-2-ylpyrido[2,3-d]pyridazin-5-one?
The InChIKey is BMUGWPAKFFHIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7(2)9-10-8(5-4-6-12-10)11(15)14(3)13-9/h4-7H,1-3H3.
What are the key properties of 6-methyl-8-propan-2-ylpyrido[2,3-d]pyridazin-5-one?
6-methyl-8-propan-2-ylpyrido[2,3-d]pyridazin-5-one has a molecular weight of 203.24 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8-propan-2-ylpyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 145029121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).