6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide

C10H16N4O2S — CID 113260885

IUPAC6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide
SMILESCC(CCS(C)=O)Nc1ccc(C(N)=O)nn1
InChIInChI=1S/C10H16N4O2S/c1-7(5-6-17(2)16)12-9-4-3-8(10(11)15)13-14-9/h3-4,7H,5-6H2,1-2H3,(H2,11,15)(H,12,14)
InChIKeyXQJDKDLEGJOMRE-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.14
Rot. Bonds6

About 6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide

6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide (PubChem CID 113260885) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide
PubChem CID113260885
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide
SMILESCC(CCS(C)=O)Nc1ccc(C(N)=O)nn1
InChIInChI=1S/C10H16N4O2S/c1-7(5-6-17(2)16)12-9-4-3-8(10(11)15)13-14-9/h3-4,7H,5-6H2,1-2H3,(H2,11,15)(H,12,14)
InChIKeyXQJDKDLEGJOMRE-UHFFFAOYSA-N
XLogP0.14
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-(diethylamino)propan-2-ylamino]pyridazine-3-carboxamide
CID 79098153
3-amino-2-(4-methylsulfinylbutan-2-ylamino)benzamide
CID 113493705
6-(4-hydroxybutan-2-ylamino)pyridazine-3-carboxylic acid
CID 83176505
6-(1-pyrazol-1-ylpropan-2-ylamino)pyridazine-3-carboxamide
CID 79099266
methyl 6-(pentan-2-ylamino)pyridazine-3-carboxylate
CID 60792454
N-(4-methylsulfinylbutan-2-yl)quinolin-2-amine
CID 113260886
5-methoxy-N-(4-methylsulfinylbutan-2-yl)pyridin-2-amine
CID 106504278
N-methyl-6-(6-methylheptan-2-ylamino)pyridazine-3-carboxamide
CID 79207194
6-(hex-1-yn-3-ylamino)pyridazine-3-carboxamide
CID 106231516
6-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazine-3-carboxamide
CID 102913837
3-methyl-4-[(4-methylsulfinylbutan-2-ylamino)methyl]benzamide
CID 114480829
4-(4-methylsulfinylbutan-2-ylamino)benzenecarbothioamide
CID 113493528

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide (CID 113260885) is 6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide is CC(CCS(C)=O)Nc1ccc(C(N)=O)nn1.
What is the InChIKey of 6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide?
The InChIKey is XQJDKDLEGJOMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-7(5-6-17(2)16)12-9-4-3-8(10(11)15)13-14-9/h3-4,7H,5-6H2,1-2H3,(H2,11,15)(H,12,14).
What are the key properties of 6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide?
6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfinylbutan-2-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 113260885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).