1-methyl-5,6,7,8,9,10-hexahydro-3H-cycloocta[d]pyridazin-4-one

C11H16N2O — CID 118458959

IUPAC1-methyl-5,6,7,8,9,10-hexahydro-3H-cycloocta[d]pyridazin-4-one
SMILESCc1n[nH]c(=O)c2c1CCCCCC2
InChIInChI=1S/C11H16N2O/c1-8-9-6-4-2-3-5-7-10(9)11(14)13-12-8/h2-7H2,1H3,(H,13,14)
InChIKeyPAWRFQKTZRFVEW-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.74
Rot. Bonds

About 1-methyl-5,6,7,8,9,10-hexahydro-3H-cycloocta[d]pyridazin-4-one

1-methyl-5,6,7,8,9,10-hexahydro-3H-cycloocta[d]pyridazin-4-one (PubChem CID 118458959) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-methyl-5,6,7,8,9,10-hexahydro-3H-cycloocta[d]pyridazin-4-one.

Molecular Properties

Compound Name1-methyl-5,6,7,8,9,10-hexahydro-3H-cycloocta[d]pyridazin-4-one
PubChem CID118458959
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-methyl-5,6,7,8,9,10-hexahydro-3H-cycloocta[d]pyridazin-4-one
SMILESCc1n[nH]c(=O)c2c1CCCCCC2
InChIInChI=1S/C11H16N2O/c1-8-9-6-4-2-3-5-7-10(9)11(14)13-12-8/h2-7H2,1H3,(H,13,14)
InChIKeyPAWRFQKTZRFVEW-UHFFFAOYSA-N
XLogP1.74
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-Difluoro-4-methyl-2,5,6,8-tetrahydrophthalazin-1-one
CID 155363396
4-methyl-5,6,7,8,9,10-hexahydro-2H-cycloocta[c]pyridazin-3-one
CID 23464662
3-butyl-4,5-dimethyl-1H-pyridazin-6-one
CID 59058838
4-pentyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751878
4-butyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751905
4-[[ethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751918
4-ethyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751925
4-propyl-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751946
4-[2-(methylamino)ethyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59825245
N,N-dimethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
CID 59825254
4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one;hydrochloride
CID 66965389
4-(2-aminoethyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 66965390

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6,7,8,9,10-hexahydro-3H-cycloocta[d]pyridazin-4-one?
The IUPAC name of 1-methyl-5,6,7,8,9,10-hexahydro-3H-cycloocta[d]pyridazin-4-one (CID 118458959) is 1-methyl-5,6,7,8,9,10-hexahydro-3H-cycloocta[d]pyridazin-4-one.
What is the SMILES notation for 1-methyl-5,6,7,8,9,10-hexahydro-3H-cycloocta[d]pyridazin-4-one?
The canonical SMILES for 1-methyl-5,6,7,8,9,10-hexahydro-3H-cycloocta[d]pyridazin-4-one is Cc1n[nH]c(=O)c2c1CCCCCC2.
What is the InChIKey of 1-methyl-5,6,7,8,9,10-hexahydro-3H-cycloocta[d]pyridazin-4-one?
The InChIKey is PAWRFQKTZRFVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-9-6-4-2-3-5-7-10(9)11(14)13-12-8/h2-7H2,1H3,(H,13,14).
What are the key properties of 1-methyl-5,6,7,8,9,10-hexahydro-3H-cycloocta[d]pyridazin-4-one?
1-methyl-5,6,7,8,9,10-hexahydro-3H-cycloocta[d]pyridazin-4-one has a molecular weight of 192.26 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6,7,8,9,10-hexahydro-3H-cycloocta[d]pyridazin-4-one is sourced from PubChem (CID 118458959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).