1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazin-4-one

C11H16N2O — CID 163801589

IUPAC1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazin-4-one
SMILESCc1nn(C)c(=O)c2c1CCCCC2
InChIInChI=1S/C11H16N2O/c1-8-9-6-4-3-5-7-10(9)11(14)13(2)12-8/h3-7H2,1-2H3
InChIKeyNFLSPJMRQYUVGB-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.36
Rot. Bonds

About 1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazin-4-one

1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazin-4-one (PubChem CID 163801589) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazin-4-one.

Molecular Properties

Compound Name1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazin-4-one
PubChem CID163801589
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazin-4-one
SMILESCc1nn(C)c(=O)c2c1CCCCC2
InChIInChI=1S/C11H16N2O/c1-8-9-6-4-3-5-7-10(9)11(14)13(2)12-8/h3-7H2,1-2H3
InChIKeyNFLSPJMRQYUVGB-UHFFFAOYSA-N
XLogP1.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[ethyl(methyl)amino]methyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 59751918
N,N-dimethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
CID 59825254
2-Methyl-4-methylidene-5-pentylpyrazol-3-one
CID 60065415
2-Methyl-5,6,7,8-tetrahydrophthalazin-1-one
CID 90738135
Ethane;2-methyl-5,6,7,8-tetrahydrophthalazin-1-one
CID 153352943
3-ethyl-1-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
CID 163764084
2,4-Dimethyl-5,6,7,8-tetrahydrophthalazin-1-one
CID 163998723
4,8-Diethyl-2-methyl-6,7-dihydrophthalazin-1-one
CID 167252041

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazin-4-one?
The IUPAC name of 1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazin-4-one (CID 163801589) is 1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazin-4-one.
What is the SMILES notation for 1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazin-4-one?
The canonical SMILES for 1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazin-4-one is Cc1nn(C)c(=O)c2c1CCCCC2.
What is the InChIKey of 1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazin-4-one?
The InChIKey is NFLSPJMRQYUVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-9-6-4-3-5-7-10(9)11(14)13(2)12-8/h3-7H2,1-2H3.
What are the key properties of 1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazin-4-one?
1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazin-4-one has a molecular weight of 192.26 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazin-4-one is sourced from PubChem (CID 163801589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).