8-(hexan-3-ylamino)-6-methylpyrido[2,3-d]pyridazin-5-one

C14H20N4O — CID 145029081

IUPAC8-(hexan-3-ylamino)-6-methylpyrido[2,3-d]pyridazin-5-one
SMILESCCCC(CC)Nc1nn(C)c(=O)c2cccnc12
InChIInChI=1S/C14H20N4O/c1-4-7-10(5-2)16-13-12-11(8-6-9-15-12)14(19)18(3)17-13/h6,8-10H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyMMVZTSBOHMSAGF-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.32
Rot. Bonds5

About 8-(hexan-3-ylamino)-6-methylpyrido[2,3-d]pyridazin-5-one

8-(hexan-3-ylamino)-6-methylpyrido[2,3-d]pyridazin-5-one (PubChem CID 145029081) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 8-(hexan-3-ylamino)-6-methylpyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8-(hexan-3-ylamino)-6-methylpyrido[2,3-d]pyridazin-5-one
PubChem CID145029081
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name8-(hexan-3-ylamino)-6-methylpyrido[2,3-d]pyridazin-5-one
SMILESCCCC(CC)Nc1nn(C)c(=O)c2cccnc12
InChIInChI=1S/C14H20N4O/c1-4-7-10(5-2)16-13-12-11(8-6-9-15-12)14(19)18(3)17-13/h6,8-10H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyMMVZTSBOHMSAGF-UHFFFAOYSA-N
XLogP2.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(hexan-3-ylamino)-6-methylpyrido[2,3-d]pyridazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;8-[1-(dimethylamino)propan-2-ylamino]-6-methylpyrido[2,3-d]pyridazin-5-one;ethane;prop-1-ene
CID 145029065
8-[[(1S,2S)-1-(dimethylamino)-1-(4-propanoylphenyl)propan-2-yl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one
CID 145029213
6-methyl-8-propan-2-ylpyrido[2,3-d]pyridazin-5-one
CID 145029121
buta-1,3-diene;8-[[2-(dimethylamino)-2-phenylethyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one
CID 145029079
8-[[(2S)-2-(dimethylamino)cyclohexyl]amino]-6-methylpyrido[2,3-d]pyridazin-5-one
CID 145029315
benzyl 4-[(1S,2S)-1-(dimethylamino)-2-[(6-methyl-5-oxopyrido[2,3-d]pyridazin-8-yl)amino]propyl]benzoate
CID 118928612
5-N-octan-4-ylquinoline-5,8-diamine
CID 106022461
5-ethyl-7-methyl-1,7-naphthyridin-8-one
CID 145148280
N-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 62046967
3-N-hexan-3-yl-2-N,2-N-dimethylpyridine-2,3-diamine
CID 103096852
3-fluoro-N-octan-4-ylpyridin-2-amine
CID 106026370
4-[[(1R,2S)-1-(dimethylamino)-1-pyridin-2-ylpropan-2-yl]amino]-2-methylphthalazin-1-one
CID 118928730

Frequently Asked Questions

What is the IUPAC name of 8-(hexan-3-ylamino)-6-methylpyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8-(hexan-3-ylamino)-6-methylpyrido[2,3-d]pyridazin-5-one (CID 145029081) is 8-(hexan-3-ylamino)-6-methylpyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8-(hexan-3-ylamino)-6-methylpyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8-(hexan-3-ylamino)-6-methylpyrido[2,3-d]pyridazin-5-one is CCCC(CC)Nc1nn(C)c(=O)c2cccnc12.
What is the InChIKey of 8-(hexan-3-ylamino)-6-methylpyrido[2,3-d]pyridazin-5-one?
The InChIKey is MMVZTSBOHMSAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-7-10(5-2)16-13-12-11(8-6-9-15-12)14(19)18(3)17-13/h6,8-10H,4-5,7H2,1-3H3,(H,16,17).
What are the key properties of 8-(hexan-3-ylamino)-6-methylpyrido[2,3-d]pyridazin-5-one?
8-(hexan-3-ylamino)-6-methylpyrido[2,3-d]pyridazin-5-one has a molecular weight of 260.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hexan-3-ylamino)-6-methylpyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 145029081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).