N-carbamoyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide

C13H16N6O2S — CID 24600183

IUPACN-carbamoyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide
SMILESCc1cc(C)n(-c2ccc(SCCC(=O)NC(N)=O)nn2)n1
InChIInChI=1S/C13H16N6O2S/c1-8-7-9(2)19(18-8)10-3-4-12(17-16-10)22-6-5-11(20)15-13(14)21/h3-4,7H,5-6H2,1-2H3,(H3,14,15,20,21)
InChIKeyAWJKABSKYNHTDM-UHFFFAOYSA-N
MW320.38 g/mol
LogP0.96
Rot. Bonds5

About N-carbamoyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide

N-carbamoyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide (PubChem CID 24600183) has the molecular formula C13H16N6O2S and a molecular weight of 320.38 g/mol. Its IUPAC name is N-carbamoyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-carbamoyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide
PubChem CID24600183
Molecular FormulaC13H16N6O2S
Molecular Weight320.38 g/mol
Exact Mass320.11
IUPAC NameN-carbamoyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide
SMILESCc1cc(C)n(-c2ccc(SCCC(=O)NC(N)=O)nn2)n1
InChIInChI=1S/C13H16N6O2S/c1-8-7-9(2)19(18-8)10-3-4-12(17-16-10)22-6-5-11(20)15-13(14)21/h3-4,7H,5-6H2,1-2H3,(H3,14,15,20,21)
InChIKeyAWJKABSKYNHTDM-UHFFFAOYSA-N
XLogP0.96
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(azepan-1-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanone
CID 17463551
3-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl]-4-methyl-1,3-thiazol-2-one
CID 17440577
3-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpropylsulfanyl)pyridazine
CID 121031284
3-(3,5-dimethylpyrazol-1-yl)-6-prop-2-enylsulfanylpyridazine
CID 121031281
N-[4-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylacetyl]phenyl]benzamide
CID 24600113
2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 17453247
1-[4-(4-bromophenyl)phenyl]-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanone
CID 16603024
2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 24600072
3-[(3,5-dimethoxyphenyl)methylsulfanyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 121031286
N-(cyclohexylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide
CID 17444408
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 90517813
3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid
CID 122059582

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide?
The IUPAC name of N-carbamoyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide (CID 24600183) is N-carbamoyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide.
What is the SMILES notation for N-carbamoyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide?
The canonical SMILES for N-carbamoyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide is Cc1cc(C)n(-c2ccc(SCCC(=O)NC(N)=O)nn2)n1.
What is the InChIKey of N-carbamoyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide?
The InChIKey is AWJKABSKYNHTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2S/c1-8-7-9(2)19(18-8)10-3-4-12(17-16-10)22-6-5-11(20)15-13(14)21/h3-4,7H,5-6H2,1-2H3,(H3,14,15,20,21).
What are the key properties of N-carbamoyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide?
N-carbamoyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide has a molecular weight of 320.38 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide is sourced from PubChem (CID 24600183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).