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

C12H18N4O — CID 113038177

IUPACN-[6-(prop-2-enylamino)pyridazin-3-yl]pentanamide
SMILESC=CCNc1ccc(NC(=O)CCCC)nn1
InChIInChI=1S/C12H18N4O/c1-3-5-6-12(17)14-11-8-7-10(15-16-11)13-9-4-2/h4,7-8H,2-3,5-6,9H2,1H3,(H,13,15)(H,14,16,17)
InChIKeyAUKWFNMUJPUEQW-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.20
Rot. Bonds7

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

N-[6-(prop-2-enylamino)pyridazin-3-yl]pentanamide (PubChem CID 113038177) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[6-(prop-2-enylamino)pyridazin-3-yl]pentanamide.

Molecular Properties

Compound NameN-[6-(prop-2-enylamino)pyridazin-3-yl]pentanamide
PubChem CID113038177
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[6-(prop-2-enylamino)pyridazin-3-yl]pentanamide
SMILESC=CCNc1ccc(NC(=O)CCCC)nn1
InChIInChI=1S/C12H18N4O/c1-3-5-6-12(17)14-11-8-7-10(15-16-11)13-9-4-2/h4,7-8H,2-3,5-6,9H2,1H3,(H,13,15)(H,14,16,17)
InChIKeyAUKWFNMUJPUEQW-UHFFFAOYSA-N
XLogP2.20
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.20
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

3-methyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]butanamide
CID 113038178
2-phenyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]acetamide
CID 113038209
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide
CID 113041597
methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate
CID 60980581
6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide
CID 109109201
N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]pentanamide
CID 113041958
N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]pentanamide
CID 113041528
N-[6-(prop-2-enylamino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113038208
N-[6-(pentylamino)pyridazin-3-yl]propanamide
CID 113044628
N-[6-(2-ethylanilino)pyridazin-3-yl]pentanamide
CID 113046636
3,4-dichloro-N-[6-(prop-2-enylamino)pyridazin-3-yl]benzamide
CID 113038199
N-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide
CID 113041159

Frequently Asked Questions

What is the IUPAC name of N-[6-(prop-2-enylamino)pyridazin-3-yl]pentanamide?
The IUPAC name of N-[6-(prop-2-enylamino)pyridazin-3-yl]pentanamide (CID 113038177) is N-[6-(prop-2-enylamino)pyridazin-3-yl]pentanamide.
What is the SMILES notation for N-[6-(prop-2-enylamino)pyridazin-3-yl]pentanamide?
The canonical SMILES for N-[6-(prop-2-enylamino)pyridazin-3-yl]pentanamide is C=CCNc1ccc(NC(=O)CCCC)nn1.
What is the InChIKey of N-[6-(prop-2-enylamino)pyridazin-3-yl]pentanamide?
The InChIKey is AUKWFNMUJPUEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-5-6-12(17)14-11-8-7-10(15-16-11)13-9-4-2/h4,7-8H,2-3,5-6,9H2,1H3,(H,13,15)(H,14,16,17).
What are the key properties of N-[6-(prop-2-enylamino)pyridazin-3-yl]pentanamide?
N-[6-(prop-2-enylamino)pyridazin-3-yl]pentanamide has a molecular weight of 234.30 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(prop-2-enylamino)pyridazin-3-yl]pentanamide is sourced from PubChem (CID 113038177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).