3-N,3-N-diethyl-4-methylsulfonyl-1-pyrazin-2-ylpyrazole-3,5-diamine

C12H18N6O2S — CID 102826399

IUPAC3-N,3-N-diethyl-4-methylsulfonyl-1-pyrazin-2-ylpyrazole-3,5-diamine
SMILESCCN(CC)c1nn(-c2cnccn2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C12H18N6O2S/c1-4-17(5-2)12-10(21(3,19)20)11(13)18(16-12)9-8-14-6-7-15-9/h6-8H,4-5,13H2,1-3H3
InChIKeyQDKYGHJSYMLFKF-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.49
Rot. Bonds5

About 3-N,3-N-diethyl-4-methylsulfonyl-1-pyrazin-2-ylpyrazole-3,5-diamine

3-N,3-N-diethyl-4-methylsulfonyl-1-pyrazin-2-ylpyrazole-3,5-diamine (PubChem CID 102826399) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-N,3-N-diethyl-4-methylsulfonyl-1-pyrazin-2-ylpyrazole-3,5-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-4-methylsulfonyl-1-pyrazin-2-ylpyrazole-3,5-diamine
PubChem CID102826399
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC Name3-N,3-N-diethyl-4-methylsulfonyl-1-pyrazin-2-ylpyrazole-3,5-diamine
SMILESCCN(CC)c1nn(-c2cnccn2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C12H18N6O2S/c1-4-17(5-2)12-10(21(3,19)20)11(13)18(16-12)9-8-14-6-7-15-9/h6-8H,4-5,13H2,1-3H3
InChIKeyQDKYGHJSYMLFKF-UHFFFAOYSA-N
XLogP0.49
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methylsulfonyl-3-N-propan-2-yl-1-pyrazin-2-ylpyrazole-3,5-diamine
CID 102826393
3-N,3-N-dimethyl-4-methylsulfonyl-1-pyrimidin-2-ylpyrazole-3,5-diamine
CID 102825799
5-amino-3-(dimethylamino)-1-pyrazin-2-ylpyrazole-4-carbonitrile
CID 102809211
1-(2-chlorophenyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102825783
4-nitro-3-propan-2-yl-1-pyrazin-2-ylpyrazol-5-amine
CID 81041163
methyl 5-amino-3-(diethylamino)-1-pyrimidin-4-ylpyrazole-4-carboxylate
CID 102809192
3-N-ethyl-1-(3-fluorophenyl)-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826146
1-(2-ethylsulfonylethyl)-3-N,3-N-dimethyl-4-methylsulfonylpyrazole-3,5-diamine
CID 102826350
2-pyrazin-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 81043372
1-(5-bromo-2-pyridinyl)-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine
CID 102826367
3-N-ethyl-1-(6-methylpyrimidin-4-yl)-4-methylsulfonylpyrazole-3,5-diamine
CID 102826168
4-propan-2-ylsulfanyl-1-pyrazin-2-ylpyrazol-5-amine
CID 81041601

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-4-methylsulfonyl-1-pyrazin-2-ylpyrazole-3,5-diamine?
The IUPAC name of 3-N,3-N-diethyl-4-methylsulfonyl-1-pyrazin-2-ylpyrazole-3,5-diamine (CID 102826399) is 3-N,3-N-diethyl-4-methylsulfonyl-1-pyrazin-2-ylpyrazole-3,5-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-4-methylsulfonyl-1-pyrazin-2-ylpyrazole-3,5-diamine?
The canonical SMILES for 3-N,3-N-diethyl-4-methylsulfonyl-1-pyrazin-2-ylpyrazole-3,5-diamine is CCN(CC)c1nn(-c2cnccn2)c(N)c1S(C)(=O)=O.
What is the InChIKey of 3-N,3-N-diethyl-4-methylsulfonyl-1-pyrazin-2-ylpyrazole-3,5-diamine?
The InChIKey is QDKYGHJSYMLFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c1-4-17(5-2)12-10(21(3,19)20)11(13)18(16-12)9-8-14-6-7-15-9/h6-8H,4-5,13H2,1-3H3.
What are the key properties of 3-N,3-N-diethyl-4-methylsulfonyl-1-pyrazin-2-ylpyrazole-3,5-diamine?
3-N,3-N-diethyl-4-methylsulfonyl-1-pyrazin-2-ylpyrazole-3,5-diamine has a molecular weight of 310.38 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-4-methylsulfonyl-1-pyrazin-2-ylpyrazole-3,5-diamine is sourced from PubChem (CID 102826399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).