3-methyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]butanamide

C12H18N4O — CID 113038178

IUPAC3-methyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]butanamide
SMILESC=CCNc1ccc(NC(=O)CC(C)C)nn1
InChIInChI=1S/C12H18N4O/c1-4-7-13-10-5-6-11(16-15-10)14-12(17)8-9(2)3/h4-6,9H,1,7-8H2,2-3H3,(H,13,15)(H,14,16,17)
InChIKeyUSJPTMRHWXBVFG-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.06
Rot. Bonds6

About 3-methyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]butanamide

3-methyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]butanamide (PubChem CID 113038178) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-methyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]butanamide
PubChem CID113038178
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-methyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]butanamide
SMILESC=CCNc1ccc(NC(=O)CC(C)C)nn1
InChIInChI=1S/C12H18N4O/c1-4-7-13-10-5-6-11(16-15-10)14-12(17)8-9(2)3/h4-6,9H,1,7-8H2,2-3H3,(H,13,15)(H,14,16,17)
InChIKeyUSJPTMRHWXBVFG-UHFFFAOYSA-N
XLogP2.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(prop-2-enylamino)pyridazin-3-yl]pentanamide
CID 113038177
2-phenyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]acetamide
CID 113038209
N-[6-(butylamino)pyridazin-3-yl]-3-methylbutanamide
CID 113038313
3-methyl-N-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]butanamide
CID 113042195
methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate
CID 60980581
3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 47146192
N-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113047111
N-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113038208
N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide
CID 113044161
N-[6-(cyclopentylamino)pyridazin-3-yl]-3-methylbutanamide
CID 113038820
3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide
CID 113038199
N-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113049126

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]butanamide (CID 113038178) is 3-methyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]butanamide is C=CCNc1ccc(NC(=O)CC(C)C)nn1.
What is the InChIKey of 3-methyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]butanamide?
The InChIKey is USJPTMRHWXBVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-4-7-13-10-5-6-11(16-15-10)14-12(17)8-9(2)3/h4-6,9H,1,7-8H2,2-3H3,(H,13,15)(H,14,16,17).
What are the key properties of 3-methyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]butanamide?
3-methyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]butanamide has a molecular weight of 234.30 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]butanamide is sourced from PubChem (CID 113038178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).