N-ethyl-6-(3-pyrazol-1-ylpropylamino)pyridazine-3-carboxamide

C13H18N6O — CID 115690608

IUPACN-ethyl-6-(3-pyrazol-1-ylpropylamino)pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(NCCCn2cccn2)nn1
InChIInChI=1S/C13H18N6O/c1-2-14-13(20)11-5-6-12(18-17-11)15-7-3-9-19-10-4-8-16-19/h4-6,8,10H,2-3,7,9H2,1H3,(H,14,20)(H,15,18)
InChIKeyKKCUXJFVTYEASR-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.93
Rot. Bonds7

About N-ethyl-6-(3-pyrazol-1-ylpropylamino)pyridazine-3-carboxamide

N-ethyl-6-(3-pyrazol-1-ylpropylamino)pyridazine-3-carboxamide (PubChem CID 115690608) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-ethyl-6-(3-pyrazol-1-ylpropylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(3-pyrazol-1-ylpropylamino)pyridazine-3-carboxamide
PubChem CID115690608
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-ethyl-6-(3-pyrazol-1-ylpropylamino)pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(NCCCn2cccn2)nn1
InChIInChI=1S/C13H18N6O/c1-2-14-13(20)11-5-6-12(18-17-11)15-7-3-9-19-10-4-8-16-19/h4-6,8,10H,2-3,7,9H2,1H3,(H,14,20)(H,15,18)
InChIKeyKKCUXJFVTYEASR-UHFFFAOYSA-N
XLogP0.93
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(2-pyrazol-1-ylethylamino)pyridazine-3-carboxylic acid
CID 54951300
6-hydrazinyl-N-(2-pyrazol-1-ylethyl)pyridazine-3-carboxamide
CID 62243686
6-amino-N-(2-pyrazol-1-ylethyl)pyridazine-3-carboxamide
CID 62186175
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
6-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridazine-3-carboxamide
CID 62173719
N-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide
CID 115690617
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
N-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide
CID 106898486
6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109110589
6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide
CID 106842680
6-(ethylamino)-N-[2-(ethylamino)-2-oxoethyl]pyridazine-3-carboxamide
CID 55047399
N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124516

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-pyrazol-1-ylpropylamino)pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-(3-pyrazol-1-ylpropylamino)pyridazine-3-carboxamide (CID 115690608) is N-ethyl-6-(3-pyrazol-1-ylpropylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-(3-pyrazol-1-ylpropylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-(3-pyrazol-1-ylpropylamino)pyridazine-3-carboxamide is CCNC(=O)c1ccc(NCCCn2cccn2)nn1.
What is the InChIKey of N-ethyl-6-(3-pyrazol-1-ylpropylamino)pyridazine-3-carboxamide?
The InChIKey is KKCUXJFVTYEASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-2-14-13(20)11-5-6-12(18-17-11)15-7-3-9-19-10-4-8-16-19/h4-6,8,10H,2-3,7,9H2,1H3,(H,14,20)(H,15,18).
What are the key properties of N-ethyl-6-(3-pyrazol-1-ylpropylamino)pyridazine-3-carboxamide?
N-ethyl-6-(3-pyrazol-1-ylpropylamino)pyridazine-3-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-pyrazol-1-ylpropylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 115690608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).