6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide

C11H16N4O — CID 109109201

IUPAC6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide
SMILESC=CCNc1ccc(C(=O)NCCC)nn1
InChIInChI=1S/C11H16N4O/c1-3-7-12-10-6-5-9(14-15-10)11(16)13-8-4-2/h3,5-6H,1,4,7-8H2,2H3,(H,12,15)(H,13,16)
InChIKeyRCYXUIKPOOWKOM-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.21
Rot. Bonds6

About 6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide

6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide (PubChem CID 109109201) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide
PubChem CID109109201
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide
SMILESC=CCNc1ccc(C(=O)NCCC)nn1
InChIInChI=1S/C11H16N4O/c1-3-7-12-10-6-5-9(14-15-10)11(16)13-8-4-2/h3,5-6H,1,4,7-8H2,2H3,(H,12,15)(H,13,16)
InChIKeyRCYXUIKPOOWKOM-UHFFFAOYSA-N
XLogP1.21
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-[2-(2-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110225
N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110227
methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate
CID 60980581
N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110282
N-[2-(1H-indol-3-yl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110236
N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62175032
6-(cyclopropylamino)-N-propylpyridazine-3-carboxamide
CID 109109200
N-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110366
6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109110589
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760
methyl 4-[[6-(prop-2-enylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109110332

Frequently Asked Questions

What is the IUPAC name of 6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide?
The IUPAC name of 6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide (CID 109109201) is 6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide is C=CCNc1ccc(C(=O)NCCC)nn1.
What is the InChIKey of 6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide?
The InChIKey is RCYXUIKPOOWKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-7-12-10-6-5-9(14-15-10)11(16)13-8-4-2/h3,5-6H,1,4,7-8H2,2H3,(H,12,15)(H,13,16).
What are the key properties of 6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide?
6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide is sourced from PubChem (CID 109109201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).