N-[(6-oxo-1H-pyridazin-3-yl)methyl]butanamide

C9H13N3O2 — CID 154267906

IUPACN-[(6-oxo-1H-pyridazin-3-yl)methyl]butanamide
SMILESCCCC(=O)NCc1ccc(=O)[nH]n1
InChIInChI=1S/C9H13N3O2/c1-2-3-8(13)10-6-7-4-5-9(14)12-11-7/h4-5H,2-3,6H2,1H3,(H,10,13)(H,12,14)
InChIKeyPFKXPIPJHXUJCD-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.19
Rot. Bonds4

About N-[(6-oxo-1H-pyridazin-3-yl)methyl]butanamide

N-[(6-oxo-1H-pyridazin-3-yl)methyl]butanamide (PubChem CID 154267906) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-[(6-oxo-1H-pyridazin-3-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(6-oxo-1H-pyridazin-3-yl)methyl]butanamide
PubChem CID154267906
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-[(6-oxo-1H-pyridazin-3-yl)methyl]butanamide
SMILESCCCC(=O)NCc1ccc(=O)[nH]n1
InChIInChI=1S/C9H13N3O2/c1-2-3-8(13)10-6-7-4-5-9(14)12-11-7/h4-5H,2-3,6H2,1H3,(H,10,13)(H,12,14)
InChIKeyPFKXPIPJHXUJCD-UHFFFAOYSA-N
XLogP0.19
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-oxo-1H-pyridazin-3-yl)methyl]butanamide?
The IUPAC name of N-[(6-oxo-1H-pyridazin-3-yl)methyl]butanamide (CID 154267906) is N-[(6-oxo-1H-pyridazin-3-yl)methyl]butanamide.
What is the SMILES notation for N-[(6-oxo-1H-pyridazin-3-yl)methyl]butanamide?
The canonical SMILES for N-[(6-oxo-1H-pyridazin-3-yl)methyl]butanamide is CCCC(=O)NCc1ccc(=O)[nH]n1.
What is the InChIKey of N-[(6-oxo-1H-pyridazin-3-yl)methyl]butanamide?
The InChIKey is PFKXPIPJHXUJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-3-8(13)10-6-7-4-5-9(14)12-11-7/h4-5H,2-3,6H2,1H3,(H,10,13)(H,12,14).
What are the key properties of N-[(6-oxo-1H-pyridazin-3-yl)methyl]butanamide?
N-[(6-oxo-1H-pyridazin-3-yl)methyl]butanamide has a molecular weight of 195.22 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-oxo-1H-pyridazin-3-yl)methyl]butanamide is sourced from PubChem (CID 154267906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).