2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-propan-2-ylacetamide

C11H14Cl2N4O3 — CID 9492221

IUPAC2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H14Cl2N4O3/c1-6(2)16-8(18)4-14-9(19)5-17-11(20)10(13)7(12)3-15-17/h3,6H,4-5H2,1-2H3,(H,14,19)(H,16,18)
InChIKeyNQTLAERCAMHFIP-UHFFFAOYSA-N
MW321.16 g/mol
LogP0.19
Rot. Bonds5

About 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-propan-2-ylacetamide

2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-propan-2-ylacetamide (PubChem CID 9492221) has the molecular formula C11H14Cl2N4O3 and a molecular weight of 321.16 g/mol. Its IUPAC name is 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-propan-2-ylacetamide
PubChem CID9492221
Molecular FormulaC11H14Cl2N4O3
Molecular Weight321.16 g/mol
Exact Mass320.04
IUPAC Name2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C11H14Cl2N4O3/c1-6(2)16-8(18)4-14-9(19)5-17-11(20)10(13)7(12)3-15-17/h3,6H,4-5H2,1-2H3,(H,14,19)(H,16,18)
InChIKeyNQTLAERCAMHFIP-UHFFFAOYSA-N
XLogP0.19
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-propan-2-ylacetamide (CID 9492221) is 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(=O)Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-propan-2-ylacetamide?
The InChIKey is NQTLAERCAMHFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N4O3/c1-6(2)16-8(18)4-14-9(19)5-17-11(20)10(13)7(12)3-15-17/h3,6H,4-5H2,1-2H3,(H,14,19)(H,16,18).
What are the key properties of 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-propan-2-ylacetamide?
2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-propan-2-ylacetamide has a molecular weight of 321.16 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 9492221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).