N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide

C8H11N3O2 — CID 60636499

IUPACN-ethyl-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C8H11N3O2/c1-3-9-8(13)6-4-5-7(12)11(2)10-6/h4-5H,3H2,1-2H3,(H,9,13)
InChIKeyVHWGBQXPACHVMX-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.47
Rot. Bonds2

About N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide

N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 60636499) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID60636499
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-ethyl-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C8H11N3O2/c1-3-9-8(13)6-4-5-7(12)11(2)10-6/h4-5H,3H2,1-2H3,(H,9,13)
InChIKeyVHWGBQXPACHVMX-UHFFFAOYSA-N
XLogP-0.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide (CID 60636499) is N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide is CCNC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is VHWGBQXPACHVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-3-9-8(13)6-4-5-7(12)11(2)10-6/h4-5H,3H2,1-2H3,(H,9,13).
What are the key properties of N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide?
N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 181.19 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 60636499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).