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

C7H6Cl2N4O3 — CID 2585089

IUPACN-carbamoyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
SMILESNC(=O)NC(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H6Cl2N4O3/c8-3-1-11-13(6(15)5(3)9)2-4(14)12-7(10)16/h1H,2H2,(H3,10,12,14,16)
InChIKeyWYCJZNFHNRGKEH-UHFFFAOYSA-N
MW265.06 g/mol
LogP-0.25
Rot. Bonds2

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

N-carbamoyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide (PubChem CID 2585089) has the molecular formula C7H6Cl2N4O3 and a molecular weight of 265.06 g/mol. Its IUPAC name is N-carbamoyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
PubChem CID2585089
Molecular FormulaC7H6Cl2N4O3
Molecular Weight265.06 g/mol
Exact Mass263.98
IUPAC NameN-carbamoyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
SMILESNC(=O)NC(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H6Cl2N4O3/c8-3-1-11-13(6(15)5(3)9)2-4(14)12-7(10)16/h1H,2H2,(H3,10,12,14,16)
InChIKeyWYCJZNFHNRGKEH-UHFFFAOYSA-N
XLogP-0.25
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.06
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-carbamoyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide (CID 2585089) is N-carbamoyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-carbamoyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-carbamoyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide is NC(=O)NC(=O)Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of N-carbamoyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The InChIKey is WYCJZNFHNRGKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N4O3/c8-3-1-11-13(6(15)5(3)9)2-4(14)12-7(10)16/h1H,2H2,(H3,10,12,14,16).
What are the key properties of N-carbamoyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
N-carbamoyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide has a molecular weight of 265.06 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 2585089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).