N-(5-chloro-2-methyl-3-oxopyridazin-4-yl)-N-methylacetamide

C8H10ClN3O2 — CID 19081408

IUPACN-(5-chloro-2-methyl-3-oxopyridazin-4-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1c(Cl)cnn(C)c1=O
InChIInChI=1S/C8H10ClN3O2/c1-5(13)11(2)7-6(9)4-10-12(3)8(7)14/h4H,1-3H3
InChIKeyKTOGKBUKPMOPLR-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.42
Rot. Bonds1

About N-(5-chloro-2-methyl-3-oxopyridazin-4-yl)-N-methylacetamide

N-(5-chloro-2-methyl-3-oxopyridazin-4-yl)-N-methylacetamide (PubChem CID 19081408) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is N-(5-chloro-2-methyl-3-oxopyridazin-4-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methyl-3-oxopyridazin-4-yl)-N-methylacetamide
PubChem CID19081408
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC NameN-(5-chloro-2-methyl-3-oxopyridazin-4-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1c(Cl)cnn(C)c1=O
InChIInChI=1S/C8H10ClN3O2/c1-5(13)11(2)7-6(9)4-10-12(3)8(7)14/h4H,1-3H3
InChIKeyKTOGKBUKPMOPLR-UHFFFAOYSA-N
XLogP0.42
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methyl-3-oxopyridazin-4-yl)-N-methylacetamide?
The IUPAC name of N-(5-chloro-2-methyl-3-oxopyridazin-4-yl)-N-methylacetamide (CID 19081408) is N-(5-chloro-2-methyl-3-oxopyridazin-4-yl)-N-methylacetamide.
What is the SMILES notation for N-(5-chloro-2-methyl-3-oxopyridazin-4-yl)-N-methylacetamide?
The canonical SMILES for N-(5-chloro-2-methyl-3-oxopyridazin-4-yl)-N-methylacetamide is CC(=O)N(C)c1c(Cl)cnn(C)c1=O.
What is the InChIKey of N-(5-chloro-2-methyl-3-oxopyridazin-4-yl)-N-methylacetamide?
The InChIKey is KTOGKBUKPMOPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-5(13)11(2)7-6(9)4-10-12(3)8(7)14/h4H,1-3H3.
What are the key properties of N-(5-chloro-2-methyl-3-oxopyridazin-4-yl)-N-methylacetamide?
N-(5-chloro-2-methyl-3-oxopyridazin-4-yl)-N-methylacetamide has a molecular weight of 215.64 g/mol, XLogP of 0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methyl-3-oxopyridazin-4-yl)-N-methylacetamide is sourced from PubChem (CID 19081408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).