N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-ethylacetamide

C14H19Cl2N3O2 — CID 78760888

IUPACN-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cn1ncc(Cl)c(Cl)c1=O)C1CCCCC1
InChIInChI=1S/C14H19Cl2N3O2/c1-2-18(10-6-4-3-5-7-10)12(20)9-19-14(21)13(16)11(15)8-17-19/h8,10H,2-7,9H2,1H3
InChIKeyOQEXNUGSFSNRNX-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.73
Rot. Bonds4

About N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-ethylacetamide

N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-ethylacetamide (PubChem CID 78760888) has the molecular formula C14H19Cl2N3O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-ethylacetamide
PubChem CID78760888
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
Exact Mass331.09
IUPAC NameN-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-ethylacetamide
SMILESCCN(C(=O)Cn1ncc(Cl)c(Cl)c1=O)C1CCCCC1
InChIInChI=1S/C14H19Cl2N3O2/c1-2-18(10-6-4-3-5-7-10)12(20)9-19-14(21)13(16)11(15)8-17-19/h8,10H,2-7,9H2,1H3
InChIKeyOQEXNUGSFSNRNX-UHFFFAOYSA-N
XLogP2.73
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-ethylacetamide?
The IUPAC name of N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-ethylacetamide (CID 78760888) is N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-ethylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-ethylacetamide?
The canonical SMILES for N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-ethylacetamide is CCN(C(=O)Cn1ncc(Cl)c(Cl)c1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-ethylacetamide?
The InChIKey is OQEXNUGSFSNRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O2/c1-2-18(10-6-4-3-5-7-10)12(20)9-19-14(21)13(16)11(15)8-17-19/h8,10H,2-7,9H2,1H3.
What are the key properties of N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-ethylacetamide?
N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-ethylacetamide has a molecular weight of 332.23 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-ethylacetamide is sourced from PubChem (CID 78760888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).