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

C12H19N3O2 — CID 78785110

IUPACN-butyl-N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCCCN(CC)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C12H19N3O2/c1-4-6-9-15(5-2)12(17)10-7-8-11(16)14(3)13-10/h7-8H,4-6,9H2,1-3H3
InChIKeyBYDAKZOJFPKJDE-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.04
Rot. Bonds5

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

N-butyl-N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 78785110) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-butyl-N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID78785110
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-butyl-N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCCCN(CC)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C12H19N3O2/c1-4-6-9-15(5-2)12(17)10-7-8-11(16)14(3)13-10/h7-8H,4-6,9H2,1-3H3
InChIKeyBYDAKZOJFPKJDE-UHFFFAOYSA-N
XLogP1.04
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-butyl-N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide (CID 78785110) is N-butyl-N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide is CCCCN(CC)C(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N-butyl-N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is BYDAKZOJFPKJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-6-9-15(5-2)12(17)10-7-8-11(16)14(3)13-10/h7-8H,4-6,9H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide?
N-butyl-N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 78785110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).