1-[(6-methylpyridazin-3-yl)amino]propan-2-one

C8H11N3O — CID 116972083

IUPAC1-[(6-methylpyridazin-3-yl)amino]propan-2-one
SMILESCC(=O)CNc1ccc(C)nn1
InChIInChI=1S/C8H11N3O/c1-6-3-4-8(11-10-6)9-5-7(2)12/h3-4H,5H2,1-2H3,(H,9,11)
InChIKeyBPFLEABWSXLPEG-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.79
Rot. Bonds3

About 1-[(6-methylpyridazin-3-yl)amino]propan-2-one

1-[(6-methylpyridazin-3-yl)amino]propan-2-one (PubChem CID 116972083) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-[(6-methylpyridazin-3-yl)amino]propan-2-one.

Molecular Properties

Compound Name1-[(6-methylpyridazin-3-yl)amino]propan-2-one
PubChem CID116972083
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-[(6-methylpyridazin-3-yl)amino]propan-2-one
SMILESCC(=O)CNc1ccc(C)nn1
InChIInChI=1S/C8H11N3O/c1-6-3-4-8(11-10-6)9-5-7(2)12/h3-4H,5H2,1-2H3,(H,9,11)
InChIKeyBPFLEABWSXLPEG-UHFFFAOYSA-N
XLogP0.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(6-methylpyridazin-3-yl)amino]propan-2-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

1-[[6-(4-ethylphenyl)pyridazin-3-yl]amino]propan-2-one
CID 116972087
2-chloro-N-(6-methylpyridazin-3-yl)acetamide
CID 166407156
6-[(6-methylpyridazin-3-yl)amino]hexanoic acid
CID 114987459
N-(6-methylpyridazin-3-yl)hydroxylamine
CID 135697316
1-[[6-(2,5-difluorophenyl)pyridazin-3-yl]amino]propan-2-one
CID 116972104
N',N'-diethyl-N-(6-methylpyridazin-3-yl)ethane-1,2-diamine
CID 61313304
1-(1,2-oxazol-3-ylamino)propan-2-one
CID 134365641
N-[(6-methylpyridazin-3-yl)methyl]acetamide
CID 110737862
2-methyl-5-[[(6-methylpyridazin-3-yl)amino]methyl]furan-3-carboxylic acid
CID 114989475
1-[4-(2-oxopropylamino)anilino]propan-2-one
CID 141317857
3-[[(6-methylpyridazin-3-yl)amino]methyl]cyclobutan-1-ol
CID 66005697
2-ethyl-2-[[(6-methylpyridazin-3-yl)amino]methyl]butan-1-ol
CID 106254988

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methylpyridazin-3-yl)amino]propan-2-one?
The IUPAC name of 1-[(6-methylpyridazin-3-yl)amino]propan-2-one (CID 116972083) is 1-[(6-methylpyridazin-3-yl)amino]propan-2-one.
What is the SMILES notation for 1-[(6-methylpyridazin-3-yl)amino]propan-2-one?
The canonical SMILES for 1-[(6-methylpyridazin-3-yl)amino]propan-2-one is CC(=O)CNc1ccc(C)nn1.
What is the InChIKey of 1-[(6-methylpyridazin-3-yl)amino]propan-2-one?
The InChIKey is BPFLEABWSXLPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6-3-4-8(11-10-6)9-5-7(2)12/h3-4H,5H2,1-2H3,(H,9,11).
What are the key properties of 1-[(6-methylpyridazin-3-yl)amino]propan-2-one?
1-[(6-methylpyridazin-3-yl)amino]propan-2-one has a molecular weight of 165.20 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methylpyridazin-3-yl)amino]propan-2-one is sourced from PubChem (CID 116972083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).