1-(2-tert-butylsulfanylethyl)-6-oxopyridazine-3-carboxamide

C11H17N3O2S — CID 167800499

IUPAC1-(2-tert-butylsulfanylethyl)-6-oxopyridazine-3-carboxamide
SMILESCC(C)(C)SCCn1nc(C(N)=O)ccc1=O
InChIInChI=1S/C11H17N3O2S/c1-11(2,3)17-7-6-14-9(15)5-4-8(13-14)10(12)16/h4-5H,6-7H2,1-3H3,(H2,12,16)
InChIKeyCRKZMRMUUGBLDI-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.87
Rot. Bonds4

About 1-(2-tert-butylsulfanylethyl)-6-oxopyridazine-3-carboxamide

1-(2-tert-butylsulfanylethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 167800499) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-(2-tert-butylsulfanylethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-tert-butylsulfanylethyl)-6-oxopyridazine-3-carboxamide
PubChem CID167800499
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name1-(2-tert-butylsulfanylethyl)-6-oxopyridazine-3-carboxamide
SMILESCC(C)(C)SCCn1nc(C(N)=O)ccc1=O
InChIInChI=1S/C11H17N3O2S/c1-11(2,3)17-7-6-14-9(15)5-4-8(13-14)10(12)16/h4-5H,6-7H2,1-3H3,(H2,12,16)
InChIKeyCRKZMRMUUGBLDI-UHFFFAOYSA-N
XLogP0.87
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxo-1-prop-2-ynylpyridazine-3-carboxamide
CID 142789345
1-[2-(2-chloro-6-fluorophenyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 71914259
1-butyl-N-[(2-methylpropan-2-yl)oxy]-6-oxopyridazine-3-carboxamide
CID 82724984
1-[[benzhydryl(methyl)amino]methyl]-6-oxopyridazine-3-carboxamide
CID 51101922
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487
[4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate
CID 30563601
1-nonyl-6-oxopyridazine-3-carboxylic acid
CID 114695797
6-oxo-1-(3,3,3-trifluoropropyl)pyridazine-3-carboxylic acid
CID 114695937
2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 62818484
2-propyl-6-(2,2,3,3-tetramethylazetidine-1-carbonyl)pyridazin-3-one
CID 96565359
6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one
CID 63106592
1-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxopyridazine-3-carboxylic acid
CID 114695976

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfanylethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-tert-butylsulfanylethyl)-6-oxopyridazine-3-carboxamide (CID 167800499) is 1-(2-tert-butylsulfanylethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-tert-butylsulfanylethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-tert-butylsulfanylethyl)-6-oxopyridazine-3-carboxamide is CC(C)(C)SCCn1nc(C(N)=O)ccc1=O.
What is the InChIKey of 1-(2-tert-butylsulfanylethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is CRKZMRMUUGBLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-11(2,3)17-7-6-14-9(15)5-4-8(13-14)10(12)16/h4-5H,6-7H2,1-3H3,(H2,12,16).
What are the key properties of 1-(2-tert-butylsulfanylethyl)-6-oxopyridazine-3-carboxamide?
1-(2-tert-butylsulfanylethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfanylethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 167800499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).