5-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-amine

C9H11N5S — CID 80663969

IUPAC5-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-amine
SMILESCc1cc(Sc2cnc(N)cn2)n(C)n1
InChIInChI=1S/C9H11N5S/c1-6-3-9(14(2)13-6)15-8-5-11-7(10)4-12-8/h3-5H,1-2H3,(H2,10,11)
InChIKeyZUSBVJXPZFKDQG-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.25
Rot. Bonds2

About 5-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-amine

5-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-amine (PubChem CID 80663969) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-amine.

Molecular Properties

Compound Name5-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-amine
PubChem CID80663969
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name5-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-amine
SMILESCc1cc(Sc2cnc(N)cn2)n(C)n1
InChIInChI=1S/C9H11N5S/c1-6-3-9(14(2)13-6)15-8-5-11-7(10)4-12-8/h3-5H,1-2H3,(H2,10,11)
InChIKeyZUSBVJXPZFKDQG-UHFFFAOYSA-N
XLogP1.25
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-amine?
The IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-amine (CID 80663969) is 5-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-amine.
What is the SMILES notation for 5-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-amine?
The canonical SMILES for 5-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-amine is Cc1cc(Sc2cnc(N)cn2)n(C)n1.
What is the InChIKey of 5-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-amine?
The InChIKey is ZUSBVJXPZFKDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-6-3-9(14(2)13-6)15-8-5-11-7(10)4-12-8/h3-5H,1-2H3,(H2,10,11).
What are the key properties of 5-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-amine?
5-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-amine has a molecular weight of 221.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-amine is sourced from PubChem (CID 80663969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).