N-ethyl-6-(3-hydroxybutan-2-ylsulfanyl)pyridazine-3-carboxamide

C11H17N3O2S — CID 107771093

IUPACN-ethyl-6-(3-hydroxybutan-2-ylsulfanyl)pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(SC(C)C(C)O)nn1
InChIInChI=1S/C11H17N3O2S/c1-4-12-11(16)9-5-6-10(14-13-9)17-8(3)7(2)15/h5-8,15H,4H2,1-3H3,(H,12,16)
InChIKeyFIQARNLYJAVNFH-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.09
Rot. Bonds5

About N-ethyl-6-(3-hydroxybutan-2-ylsulfanyl)pyridazine-3-carboxamide

N-ethyl-6-(3-hydroxybutan-2-ylsulfanyl)pyridazine-3-carboxamide (PubChem CID 107771093) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-ethyl-6-(3-hydroxybutan-2-ylsulfanyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(3-hydroxybutan-2-ylsulfanyl)pyridazine-3-carboxamide
PubChem CID107771093
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-ethyl-6-(3-hydroxybutan-2-ylsulfanyl)pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(SC(C)C(C)O)nn1
InChIInChI=1S/C11H17N3O2S/c1-4-12-11(16)9-5-6-10(14-13-9)17-8(3)7(2)15/h5-8,15H,4H2,1-3H3,(H,12,16)
InChIKeyFIQARNLYJAVNFH-UHFFFAOYSA-N
XLogP1.09
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(Butylcarbamoyl)pyridazin-3-yl] thiohypofluorite
CID 145023141
N-tert-butyl-6-methylsulfanylpyridazine-3-carboxamide
CID 21673892
N-methyl-6-(3-methylbutylsulfanyl)pyridazine-3-carboxamide
CID 71983706
N-ethyl-6-thiophen-2-ylsulfanylpyridazine-3-carboxamide
CID 75379406
Methyl 3-[6-(methylcarbamoyl)pyridazin-3-yl]sulfanylbutanoate
CID 79207967
Methyl 2-methyl-3-[6-(methylcarbamoyl)pyridazin-3-yl]sulfanylpropanoate
CID 79207968
6-(2-hydroxyethylsulfanyl)-N-methylpyridazine-3-carboxamide
CID 79209140
6-(4-hydroxybutan-2-ylsulfanyl)-N-methylpyridazine-3-carboxamide
CID 79214936
6-(2,3-dihydroxypropylsulfanyl)-N-methylpyridazine-3-carboxamide
CID 79698622
6-(3-hydroxy-2-methylpropyl)sulfanyl-N-methylpyridazine-3-carboxamide
CID 79838672
2-[6-(Ethylcarbamoyl)pyridazin-3-yl]sulfonylethanesulfonyl chloride
CID 80345938
N-methyl-6-(2-sulfamoylethylsulfanyl)pyridazine-3-carboxamide
CID 80346425

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-hydroxybutan-2-ylsulfanyl)pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-(3-hydroxybutan-2-ylsulfanyl)pyridazine-3-carboxamide (CID 107771093) is N-ethyl-6-(3-hydroxybutan-2-ylsulfanyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-(3-hydroxybutan-2-ylsulfanyl)pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-(3-hydroxybutan-2-ylsulfanyl)pyridazine-3-carboxamide is CCNC(=O)c1ccc(SC(C)C(C)O)nn1.
What is the InChIKey of N-ethyl-6-(3-hydroxybutan-2-ylsulfanyl)pyridazine-3-carboxamide?
The InChIKey is FIQARNLYJAVNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-4-12-11(16)9-5-6-10(14-13-9)17-8(3)7(2)15/h5-8,15H,4H2,1-3H3,(H,12,16).
What are the key properties of N-ethyl-6-(3-hydroxybutan-2-ylsulfanyl)pyridazine-3-carboxamide?
N-ethyl-6-(3-hydroxybutan-2-ylsulfanyl)pyridazine-3-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-hydroxybutan-2-ylsulfanyl)pyridazine-3-carboxamide is sourced from PubChem (CID 107771093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).