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

C12H19N3O3 — CID 65112053

IUPACN-(2-ethyl-2-hydroxybutyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C12H19N3O3/c1-4-12(18,5-2)8-13-11(17)9-6-7-10(16)15(3)14-9/h6-7,18H,4-5,8H2,1-3H3,(H,13,17)
InChIKeyZEYZKYSXBOHLRV-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.06
Rot. Bonds5

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

N-(2-ethyl-2-hydroxybutyl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 65112053) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID65112053
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C12H19N3O3/c1-4-12(18,5-2)8-13-11(17)9-6-7-10(16)15(3)14-9/h6-7,18H,4-5,8H2,1-3H3,(H,13,17)
InChIKeyZEYZKYSXBOHLRV-UHFFFAOYSA-N
XLogP0.06
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 65112053) is N-(2-ethyl-2-hydroxybutyl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-1-methyl-6-oxopyridazine-3-carboxamide is CCC(O)(CC)CNC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is ZEYZKYSXBOHLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-12(18,5-2)8-13-11(17)9-6-7-10(16)15(3)14-9/h6-7,18H,4-5,8H2,1-3H3,(H,13,17).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 65112053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).