N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxopyridazine-3-carboxamide

C12H17N3O2 — CID 78800064

IUPACN-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxopyridazine-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C12H17N3O2/c1-5-15(8-9(2)3)12(17)10-6-7-11(16)14(4)13-10/h6-7H,2,5,8H2,1,3-4H3
InChIKeyVOAXZESAUVXNSM-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.82
Rot. Bonds4

About N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxopyridazine-3-carboxamide

N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxopyridazine-3-carboxamide (PubChem CID 78800064) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxopyridazine-3-carboxamide
PubChem CID78800064
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxopyridazine-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C12H17N3O2/c1-5-15(8-9(2)3)12(17)10-6-7-11(16)14(4)13-10/h6-7H,2,5,8H2,1,3-4H3
InChIKeyVOAXZESAUVXNSM-UHFFFAOYSA-N
XLogP0.82
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxopyridazine-3-carboxamide (CID 78800064) is N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxopyridazine-3-carboxamide is C=C(C)CN(CC)C(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is VOAXZESAUVXNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-5-15(8-9(2)3)12(17)10-6-7-11(16)14(4)13-10/h6-7H,2,5,8H2,1,3-4H3.
What are the key properties of N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxopyridazine-3-carboxamide?
N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-(2-methylprop-2-enyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 78800064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).