N-ethyl-6-(4-ethylsulfanylbutan-2-ylamino)pyridazine-3-carboxamide

C13H22N4OS — CID 115744775

IUPACN-ethyl-6-(4-ethylsulfanylbutan-2-ylamino)pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(NC(C)CCSCC)nn1
InChIInChI=1S/C13H22N4OS/c1-4-14-13(18)11-6-7-12(17-16-11)15-10(3)8-9-19-5-2/h6-7,10H,4-5,8-9H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyWTWXCOUJDYTWAU-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.17
Rot. Bonds8

About N-ethyl-6-(4-ethylsulfanylbutan-2-ylamino)pyridazine-3-carboxamide

N-ethyl-6-(4-ethylsulfanylbutan-2-ylamino)pyridazine-3-carboxamide (PubChem CID 115744775) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-ethyl-6-(4-ethylsulfanylbutan-2-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(4-ethylsulfanylbutan-2-ylamino)pyridazine-3-carboxamide
PubChem CID115744775
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-ethyl-6-(4-ethylsulfanylbutan-2-ylamino)pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(NC(C)CCSCC)nn1
InChIInChI=1S/C13H22N4OS/c1-4-14-13(18)11-6-7-12(17-16-11)15-10(3)8-9-19-5-2/h6-7,10H,4-5,8-9H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyWTWXCOUJDYTWAU-UHFFFAOYSA-N
XLogP2.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(1-amino-4-methylpentan-3-yl)amino]-N-ethylpyridazine-3-carboxamide
CID 106357629
N-ethyl-6-(pent-1-yn-3-ylamino)pyridazine-3-carboxamide
CID 103578139
N-ethyl-6-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazine-3-carboxamide
CID 106158242
6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid
CID 83176505
N-methyl-6-(6-methylheptan-2-ylamino)pyridazine-3-carboxamide
CID 79207194
2-ethyl-2-[[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]methyl]butanoic acid
CID 115430062
methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate
CID 60792454
N-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide
CID 115690617
N-ethyl-6-(3-hydroxybutan-2-ylsulfanyl)pyridazine-3-carboxamide
CID 107771093
5-chloro-N-(4-ethylsulfanylbutan-2-yl)pyridin-2-amine
CID 115744742
N-(4-acetamidophenyl)-6-(butan-2-ylamino)pyridazine-3-carboxamide
CID 109111487
6-(3-ethylsulfanylpropylamino)-N-methylpyridazine-3-carboxamide
CID 114248384

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-ethylsulfanylbutan-2-ylamino)pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-(4-ethylsulfanylbutan-2-ylamino)pyridazine-3-carboxamide (CID 115744775) is N-ethyl-6-(4-ethylsulfanylbutan-2-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-(4-ethylsulfanylbutan-2-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-(4-ethylsulfanylbutan-2-ylamino)pyridazine-3-carboxamide is CCNC(=O)c1ccc(NC(C)CCSCC)nn1.
What is the InChIKey of N-ethyl-6-(4-ethylsulfanylbutan-2-ylamino)pyridazine-3-carboxamide?
The InChIKey is WTWXCOUJDYTWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-4-14-13(18)11-6-7-12(17-16-11)15-10(3)8-9-19-5-2/h6-7,10H,4-5,8-9H2,1-3H3,(H,14,18)(H,15,17).
What are the key properties of N-ethyl-6-(4-ethylsulfanylbutan-2-ylamino)pyridazine-3-carboxamide?
N-ethyl-6-(4-ethylsulfanylbutan-2-ylamino)pyridazine-3-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-ethylsulfanylbutan-2-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 115744775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).