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

C13H20N2O3 — CID 71270349

IUPAC6-[2-(4-methoxycyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione
SMILESCOC1CCC(CCc2cc(=O)c(=O)[nH][nH]2)CC1
InChIInChI=1S/C13H20N2O3/c1-18-11-6-3-9(4-7-11)2-5-10-8-12(16)13(17)15-14-10/h8-9,11H,2-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyRGWRLRXVBWKUIQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.20
Rot. Bonds4

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

6-[2-(4-methoxycyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione (PubChem CID 71270349) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 6-[2-(4-methoxycyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione.

Molecular Properties

Compound Name6-[2-(4-methoxycyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione
PubChem CID71270349
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name6-[2-(4-methoxycyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione
SMILESCOC1CCC(CCc2cc(=O)c(=O)[nH][nH]2)CC1
InChIInChI=1S/C13H20N2O3/c1-18-11-6-3-9(4-7-11)2-5-10-8-12(16)13(17)15-14-10/h8-9,11H,2-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyRGWRLRXVBWKUIQ-UHFFFAOYSA-N
XLogP1.20
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-cyclohexylethyl)-4-hydroxypyridazin-3(2H)-one
CID 71270399
US10463663, Example 16
CID 78059222
4-Hydroxy-6-[2-(oxan-4-yl)ethyl]pyridazin-3(2H)-one
CID 71270291
6-(Cyclohexylmethyl)-4-hydroxypyridazin-3(2H)-one
CID 71270563
6-[2-(4-Methylcyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione
CID 129274155

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxycyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione?
The IUPAC name of 6-[2-(4-methoxycyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione (CID 71270349) is 6-[2-(4-methoxycyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione.
What is the SMILES notation for 6-[2-(4-methoxycyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione?
The canonical SMILES for 6-[2-(4-methoxycyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione is COC1CCC(CCc2cc(=O)c(=O)[nH][nH]2)CC1.
What is the InChIKey of 6-[2-(4-methoxycyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione?
The InChIKey is RGWRLRXVBWKUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-18-11-6-3-9(4-7-11)2-5-10-8-12(16)13(17)15-14-10/h8-9,11H,2-7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 6-[2-(4-methoxycyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione?
6-[2-(4-methoxycyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione has a molecular weight of 252.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxycyclohexyl)ethyl]-1,2-dihydropyridazine-3,4-dione is sourced from PubChem (CID 71270349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).