3-methyl-N-pyridazin-3-ylbutanamide

C9H13N3O — CID 127109462

IUPAC3-methyl-N-pyridazin-3-ylbutanamide
SMILESCC(C)CC(=O)Nc1cccnn1
InChIInChI=1S/C9H13N3O/c1-7(2)6-9(13)11-8-4-3-5-10-12-8/h3-5,7H,6H2,1-2H3,(H,11,12,13)
InChIKeyMNOKMHFUSOVOSL-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.46
Rot. Bonds3

About 3-methyl-N-pyridazin-3-ylbutanamide

3-methyl-N-pyridazin-3-ylbutanamide (PubChem CID 127109462) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-methyl-N-pyridazin-3-ylbutanamide.

Molecular Properties

Compound Name3-methyl-N-pyridazin-3-ylbutanamide
PubChem CID127109462
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-methyl-N-pyridazin-3-ylbutanamide
SMILESCC(C)CC(=O)Nc1cccnn1
InChIInChI=1S/C9H13N3O/c1-7(2)6-9(13)11-8-4-3-5-10-12-8/h3-5,7H,6H2,1-2H3,(H,11,12,13)
InChIKeyMNOKMHFUSOVOSL-UHFFFAOYSA-N
XLogP1.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pyridazin-3-ylbutanamide?
The IUPAC name of 3-methyl-N-pyridazin-3-ylbutanamide (CID 127109462) is 3-methyl-N-pyridazin-3-ylbutanamide.
What is the SMILES notation for 3-methyl-N-pyridazin-3-ylbutanamide?
The canonical SMILES for 3-methyl-N-pyridazin-3-ylbutanamide is CC(C)CC(=O)Nc1cccnn1.
What is the InChIKey of 3-methyl-N-pyridazin-3-ylbutanamide?
The InChIKey is MNOKMHFUSOVOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7(2)6-9(13)11-8-4-3-5-10-12-8/h3-5,7H,6H2,1-2H3,(H,11,12,13).
What are the key properties of 3-methyl-N-pyridazin-3-ylbutanamide?
3-methyl-N-pyridazin-3-ylbutanamide has a molecular weight of 179.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pyridazin-3-ylbutanamide is sourced from PubChem (CID 127109462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).