N-ethyl-6-(pent-1-yn-3-ylamino)pyridazine-3-carboxamide

C12H16N4O — CID 103578139

IUPACN-ethyl-6-(pent-1-yn-3-ylamino)pyridazine-3-carboxamide
SMILESC#CC(CC)Nc1ccc(C(=O)NCC)nn1
InChIInChI=1S/C12H16N4O/c1-4-9(5-2)14-11-8-7-10(15-16-11)12(17)13-6-3/h1,7-9H,5-6H2,2-3H3,(H,13,17)(H,14,16)
InChIKeyQCGBZLRATDGSGK-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.05
Rot. Bonds5

About N-ethyl-6-(pent-1-yn-3-ylamino)pyridazine-3-carboxamide

N-ethyl-6-(pent-1-yn-3-ylamino)pyridazine-3-carboxamide (PubChem CID 103578139) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-ethyl-6-(pent-1-yn-3-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(pent-1-yn-3-ylamino)pyridazine-3-carboxamide
PubChem CID103578139
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-ethyl-6-(pent-1-yn-3-ylamino)pyridazine-3-carboxamide
SMILESC#CC(CC)Nc1ccc(C(=O)NCC)nn1
InChIInChI=1S/C12H16N4O/c1-4-9(5-2)14-11-8-7-10(15-16-11)12(17)13-6-3/h1,7-9H,5-6H2,2-3H3,(H,13,17)(H,14,16)
InChIKeyQCGBZLRATDGSGK-UHFFFAOYSA-N
XLogP1.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(3,3,3-TRIFLUORO-2-METHYL-2-TRIFLUOROMETHYLPROPIONYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11442719
N-cyclohexyl-6-(cyclopentylamino)-4-propan-2-ylpyridazine-3-carboxamide
CID 141463764
6-[Cyclobutyl(methyl)amino]pyridazine-3-carboxamide
CID 75377045
N-cyclohexyl-6-morpholinopyridazine-3-carboxamide
CID 109112982
6-(butylamino)-N-cyclohexyl-4-propan-2-ylpyridazine-3-carboxamide
CID 141463775
6-[(4,4-Dimethylcyclohexyl)amino]pyridazine-3-carboxamide
CID 79099275
US11591331, Example 61
CID 167845001
6-amino-N-methylpyridazine-3-carboxamide
CID 62156564
[6-(Dimethylamino)pyridazin-3-yl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 53579751
N-(2-cyclopropylethyl)-6-[4-[(Z)-4,4,4-trifluorobut-2-enoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 71521268
6-(pyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 71778507
6-[cyclobutyl(methyl)amino]-N-methylpyridazine-3-carboxamide
CID 75375755

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(pent-1-yn-3-ylamino)pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-(pent-1-yn-3-ylamino)pyridazine-3-carboxamide (CID 103578139) is N-ethyl-6-(pent-1-yn-3-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-(pent-1-yn-3-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-(pent-1-yn-3-ylamino)pyridazine-3-carboxamide is C#CC(CC)Nc1ccc(C(=O)NCC)nn1.
What is the InChIKey of N-ethyl-6-(pent-1-yn-3-ylamino)pyridazine-3-carboxamide?
The InChIKey is QCGBZLRATDGSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-4-9(5-2)14-11-8-7-10(15-16-11)12(17)13-6-3/h1,7-9H,5-6H2,2-3H3,(H,13,17)(H,14,16).
What are the key properties of N-ethyl-6-(pent-1-yn-3-ylamino)pyridazine-3-carboxamide?
N-ethyl-6-(pent-1-yn-3-ylamino)pyridazine-3-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(pent-1-yn-3-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 103578139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).