N-ethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-3-carboxamide

C12H19N3O2 — CID 56721184

IUPACN-ethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-3-carboxamide
SMILESCCC(CC)N(CC)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H19N3O2/c1-4-9(5-2)15(6-3)12(17)10-7-8-11(16)14-13-10/h7-9H,4-6H2,1-3H3,(H,14,16)
InChIKeyIVWSJUUNBIXEEG-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.42
Rot. Bonds5

About N-ethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-3-carboxamide

N-ethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-3-carboxamide (PubChem CID 56721184) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-ethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-3-carboxamide
PubChem CID56721184
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-ethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-3-carboxamide
SMILESCCC(CC)N(CC)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H19N3O2/c1-4-9(5-2)15(6-3)12(17)10-7-8-11(16)14-13-10/h7-9H,4-6H2,1-3H3,(H,14,16)
InChIKeyIVWSJUUNBIXEEG-UHFFFAOYSA-N
XLogP1.42
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-3-carboxamide (CID 56721184) is N-ethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-3-carboxamide is CCC(CC)N(CC)C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-ethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-3-carboxamide?
The InChIKey is IVWSJUUNBIXEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-9(5-2)15(6-3)12(17)10-7-8-11(16)14-13-10/h7-9H,4-6H2,1-3H3,(H,14,16).
What are the key properties of N-ethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-3-carboxamide?
N-ethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-oxo-N-pentan-3-yl-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 56721184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).