6-(3-amino-2-methyl-3-phenylpropanoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

C18H22N4O2 — CID 119809806

IUPAC6-(3-amino-2-methyl-3-phenylpropanoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCC(C(=O)N1CCc2nn(C)c(=O)cc2C1)C(N)c1ccccc1
InChIInChI=1S/C18H22N4O2/c1-12(17(19)13-6-4-3-5-7-13)18(24)22-9-8-15-14(11-22)10-16(23)21(2)20-15/h3-7,10,12,17H,8-9,11,19H2,1-2H3
InChIKeyOFZIQZRZGBNPLN-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.00
Rot. Bonds3

About 6-(3-amino-2-methyl-3-phenylpropanoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

6-(3-amino-2-methyl-3-phenylpropanoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 119809806) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-(3-amino-2-methyl-3-phenylpropanoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-amino-2-methyl-3-phenylpropanoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID119809806
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name6-(3-amino-2-methyl-3-phenylpropanoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCC(C(=O)N1CCc2nn(C)c(=O)cc2C1)C(N)c1ccccc1
InChIInChI=1S/C18H22N4O2/c1-12(17(19)13-6-4-3-5-7-13)18(24)22-9-8-15-14(11-22)10-16(23)21(2)20-15/h3-7,10,12,17H,8-9,11,19H2,1-2H3
InChIKeyOFZIQZRZGBNPLN-UHFFFAOYSA-N
XLogP1.00
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3-amino-2-methyl-3-phenylpropanoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one with MolForge

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Related Compounds

6-[2-[(1R,2S,4R)-2-amino-4-hydroxycyclobutyl]acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 166355177
(2S,3S)-3-amino-1-(azocan-1-yl)-2-methyl-3-phenylpropan-1-one
CID 99627539
6-(3-methoxybenzoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 136529400
6-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 120991419
2-[4-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl)phenoxy]acetic acid
CID 146135786
3-amino-1-(4-benzoylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 119683429
2-[1-(3-amino-2-methyl-3-phenylpropanoyl)azetidin-3-yl]propanoic acid
CID 116682227
2-methyl-N-[(4-methylphenyl)methyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
CID 91894577
3-amino-1-(4-benzoylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119683428
3-amino-2-methyl-3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 119827962
6-[2-(2-methoxycyclobutyl)acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 166309090
3-amino-2-methyl-3-phenyl-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one;dihydrochloride
CID 119898810

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-2-methyl-3-phenylpropanoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-(3-amino-2-methyl-3-phenylpropanoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 119809806) is 6-(3-amino-2-methyl-3-phenylpropanoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-(3-amino-2-methyl-3-phenylpropanoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-(3-amino-2-methyl-3-phenylpropanoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is CC(C(=O)N1CCc2nn(C)c(=O)cc2C1)C(N)c1ccccc1.
What is the InChIKey of 6-(3-amino-2-methyl-3-phenylpropanoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is OFZIQZRZGBNPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(17(19)13-6-4-3-5-7-13)18(24)22-9-8-15-14(11-22)10-16(23)21(2)20-15/h3-7,10,12,17H,8-9,11,19H2,1-2H3.
What are the key properties of 6-(3-amino-2-methyl-3-phenylpropanoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
6-(3-amino-2-methyl-3-phenylpropanoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 326.40 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-2-methyl-3-phenylpropanoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 119809806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).