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

C12H15Cl2N3O2 — CID 2701065

IUPACN-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)NC1CCCCC1
InChIInChI=1S/C12H15Cl2N3O2/c13-9-6-15-17(12(19)11(9)14)7-10(18)16-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,16,18)
InChIKeySQOMIRWHNPIDSF-UHFFFAOYSA-N
MW304.18 g/mol
LogP2.00
Rot. Bonds3

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

N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide (PubChem CID 2701065) has the molecular formula C12H15Cl2N3O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
PubChem CID2701065
Molecular FormulaC12H15Cl2N3O2
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC NameN-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)NC1CCCCC1
InChIInChI=1S/C12H15Cl2N3O2/c13-9-6-15-17(12(19)11(9)14)7-10(18)16-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,16,18)
InChIKeySQOMIRWHNPIDSF-UHFFFAOYSA-N
XLogP2.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 52.00
H-Bond Donors ≤ 51
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)acetamide?
The IUPAC name of N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide (CID 2701065) is N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide is O=C(Cn1ncc(Cl)c(Cl)c1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The InChIKey is SQOMIRWHNPIDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O2/c13-9-6-15-17(12(19)11(9)14)7-10(18)16-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,16,18).
What are the key properties of N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide has a molecular weight of 304.18 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 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)acetamide is sourced from PubChem (CID 2701065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).