ethane;3-methyl-7H-cyclohepta[d]pyridazin-4-one;propane

C17H30N2O — CID 145166497

IUPACethane;3-methyl-7H-cyclohepta[d]pyridazin-4-one;propane
SMILESCC.CC.CCC.Cn1ncc2c(c1=O)C=CCC=C2
InChIInChI=1S/C10H10N2O.C3H8.2C2H6/c1-12-10(13)9-6-4-2-3-5-8(9)7-11-12;1-3-2;2*1-2/h3-7H,2H2,1H3;3H2,1-2H3;2*1-2H3
InChIKeyYOWWCYCZZNNTLS-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.68
Rot. Bonds

About ethane;3-methyl-7H-cyclohepta[d]pyridazin-4-one;propane

ethane;3-methyl-7H-cyclohepta[d]pyridazin-4-one;propane (PubChem CID 145166497) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is ethane;3-methyl-7H-cyclohepta[d]pyridazin-4-one;propane.

Molecular Properties

Compound Nameethane;3-methyl-7H-cyclohepta[d]pyridazin-4-one;propane
PubChem CID145166497
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Nameethane;3-methyl-7H-cyclohepta[d]pyridazin-4-one;propane
SMILESCC.CC.CCC.Cn1ncc2c(c1=O)C=CCC=C2
InChIInChI=1S/C10H10N2O.C3H8.2C2H6/c1-12-10(13)9-6-4-2-3-5-8(9)7-11-12;1-3-2;2*1-2/h3-7H,2H2,1H3;3H2,1-2H3;2*1-2H3
InChIKeyYOWWCYCZZNNTLS-UHFFFAOYSA-N
XLogP4.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-7H-cyclohepta[d]pyridazin-4-one;propane?
The IUPAC name of ethane;3-methyl-7H-cyclohepta[d]pyridazin-4-one;propane (CID 145166497) is ethane;3-methyl-7H-cyclohepta[d]pyridazin-4-one;propane.
What is the SMILES notation for ethane;3-methyl-7H-cyclohepta[d]pyridazin-4-one;propane?
The canonical SMILES for ethane;3-methyl-7H-cyclohepta[d]pyridazin-4-one;propane is CC.CC.CCC.Cn1ncc2c(c1=O)C=CCC=C2.
What is the InChIKey of ethane;3-methyl-7H-cyclohepta[d]pyridazin-4-one;propane?
The InChIKey is YOWWCYCZZNNTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O.C3H8.2C2H6/c1-12-10(13)9-6-4-2-3-5-8(9)7-11-12;1-3-2;2*1-2/h3-7H,2H2,1H3;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-methyl-7H-cyclohepta[d]pyridazin-4-one;propane?
ethane;3-methyl-7H-cyclohepta[d]pyridazin-4-one;propane has a molecular weight of 278.44 g/mol, XLogP of 4.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-7H-cyclohepta[d]pyridazin-4-one;propane is sourced from PubChem (CID 145166497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).