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

C15H21N3O3 — CID 166309090

IUPAC6-[2-(2-methoxycyclobutyl)acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCOC1CCC1CC(=O)N1CCc2nn(C)c(=O)cc2C1
InChIInChI=1S/C15H21N3O3/c1-17-14(19)8-11-9-18(6-5-12(11)16-17)15(20)7-10-3-4-13(10)21-2/h8,10,13H,3-7,9H2,1-2H3
InChIKeyYJTOXRTTZVUGLX-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.48
Rot. Bonds3

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

6-[2-(2-methoxycyclobutyl)acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 166309090) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-[2-(2-methoxycyclobutyl)acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(2-methoxycyclobutyl)acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID166309090
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name6-[2-(2-methoxycyclobutyl)acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCOC1CCC1CC(=O)N1CCc2nn(C)c(=O)cc2C1
InChIInChI=1S/C15H21N3O3/c1-17-14(19)8-11-9-18(6-5-12(11)16-17)15(20)7-10-3-4-13(10)21-2/h8,10,13H,3-7,9H2,1-2H3
InChIKeyYJTOXRTTZVUGLX-UHFFFAOYSA-N
XLogP0.48
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[2-(2-methoxycyclobutyl)acetyl]-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
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
2-methyl-6-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 124504824
2-methyl-N-[(4-methylphenyl)methyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
CID 91894577
6-(3-amino-2-methyl-3-phenylpropanoyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 119809806
N-[4-[[acetyl(cyclopropyl)amino]methyl]phenyl]-2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
CID 127413299
6-[1-[(2S)-butan-2-yl]-5-cyclopropylpyrazole-4-carbonyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 124514191
6-(4,4-dimethylcyclohexyl)sulfonyl-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 91652726
6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 95781751
methyl 3-[(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)methyl]thiophene-2-carboxylate
CID 71971937

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methoxycyclobutyl)acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-[2-(2-methoxycyclobutyl)acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 166309090) is 6-[2-(2-methoxycyclobutyl)acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-[2-(2-methoxycyclobutyl)acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-[2-(2-methoxycyclobutyl)acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is COC1CCC1CC(=O)N1CCc2nn(C)c(=O)cc2C1.
What is the InChIKey of 6-[2-(2-methoxycyclobutyl)acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is YJTOXRTTZVUGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17-14(19)8-11-9-18(6-5-12(11)16-17)15(20)7-10-3-4-13(10)21-2/h8,10,13H,3-7,9H2,1-2H3.
What are the key properties of 6-[2-(2-methoxycyclobutyl)acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
6-[2-(2-methoxycyclobutyl)acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 291.35 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methoxycyclobutyl)acetyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 166309090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).