3-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpropylsulfanyl)pyridazine

C13H18N4S — CID 121031284

IUPAC3-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpropylsulfanyl)pyridazine
SMILESCc1cc(C)n(-c2ccc(SCC(C)C)nn2)n1
InChIInChI=1S/C13H18N4S/c1-9(2)8-18-13-6-5-12(14-15-13)17-11(4)7-10(3)16-17/h5-7,9H,8H2,1-4H3
InChIKeyLLUVONFVPKEADR-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.03
Rot. Bonds4

About 3-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpropylsulfanyl)pyridazine

3-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpropylsulfanyl)pyridazine (PubChem CID 121031284) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpropylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpropylsulfanyl)pyridazine
PubChem CID121031284
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpropylsulfanyl)pyridazine
SMILESCc1cc(C)n(-c2ccc(SCC(C)C)nn2)n1
InChIInChI=1S/C13H18N4S/c1-9(2)8-18-13-6-5-12(14-15-13)17-11(4)7-10(3)16-17/h5-7,9H,8H2,1-4H3
InChIKeyLLUVONFVPKEADR-UHFFFAOYSA-N
XLogP3.03
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-6-prop-2-enylsulfanylpyridazine
CID 121031281
3-[(3,5-dimethoxyphenyl)methylsulfanyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 121031286
1-(azepan-1-yl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanone
CID 17463551
N-carbamoyl-3-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide
CID 24600183
3-[2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethyl]-4-methyl-1,3-thiazol-2-one
CID 17440577
1-[4-(4-bromophenyl)phenyl]-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylethanone
CID 16603024
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
N-(cyclohexylmethyl)-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylpropanamide
CID 17444408
2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 24600072
N-[2-(4-bromophenoxy)ethyl]-2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-methylacetamide
CID 16603056
4-[3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine
CID 16603039

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpropylsulfanyl)pyridazine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpropylsulfanyl)pyridazine (CID 121031284) is 3-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpropylsulfanyl)pyridazine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpropylsulfanyl)pyridazine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpropylsulfanyl)pyridazine is Cc1cc(C)n(-c2ccc(SCC(C)C)nn2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpropylsulfanyl)pyridazine?
The InChIKey is LLUVONFVPKEADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9(2)8-18-13-6-5-12(14-15-13)17-11(4)7-10(3)16-17/h5-7,9H,8H2,1-4H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpropylsulfanyl)pyridazine?
3-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpropylsulfanyl)pyridazine has a molecular weight of 262.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-6-(2-methylpropylsulfanyl)pyridazine is sourced from PubChem (CID 121031284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).