6-[2-(4-methylcyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione

C13H20N2O2 — CID 129274155

IUPAC6-[2-(4-methylcyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione
SMILESCC1CCC(CCc2cc(=O)c(=O)[nH][nH]2)CC1
InChIInChI=1S/C13H20N2O2/c1-9-2-4-10(5-3-9)6-7-11-8-12(16)13(17)15-14-11/h8-10H,2-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyHZUQPQVPTOLQEV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.82
Rot. Bonds3

About 6-[2-(4-methylcyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione

6-[2-(4-methylcyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione (PubChem CID 129274155) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 6-[2-(4-methylcyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione.

Molecular Properties

Compound Name6-[2-(4-methylcyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione
PubChem CID129274155
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name6-[2-(4-methylcyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione
SMILESCC1CCC(CCc2cc(=O)c(=O)[nH][nH]2)CC1
InChIInChI=1S/C13H20N2O2/c1-9-2-4-10(5-3-9)6-7-11-8-12(16)13(17)15-14-11/h8-10H,2-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyHZUQPQVPTOLQEV-UHFFFAOYSA-N
XLogP1.82
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methylcyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione?
The IUPAC name of 6-[2-(4-methylcyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione (CID 129274155) is 6-[2-(4-methylcyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione.
What is the SMILES notation for 6-[2-(4-methylcyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione?
The canonical SMILES for 6-[2-(4-methylcyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione is CC1CCC(CCc2cc(=O)c(=O)[nH][nH]2)CC1.
What is the InChIKey of 6-[2-(4-methylcyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione?
The InChIKey is HZUQPQVPTOLQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-2-4-10(5-3-9)6-7-11-8-12(16)13(17)15-14-11/h8-10H,2-7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 6-[2-(4-methylcyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione?
6-[2-(4-methylcyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione has a molecular weight of 236.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methylcyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione is sourced from PubChem (CID 129274155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).