[3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-yl]methanamine

C10H13N5S — CID 62684344

IUPAC[3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-yl]methanamine
SMILESCc1cc(Sc2nccnc2CN)n(C)n1
InChIInChI=1S/C10H13N5S/c1-7-5-9(15(2)14-7)16-10-8(6-11)12-3-4-13-10/h3-5H,6,11H2,1-2H3
InChIKeyOCAGWAHYFVECJG-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.13
Rot. Bonds3

About [3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-yl]methanamine

[3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-yl]methanamine (PubChem CID 62684344) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is [3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-yl]methanamine
PubChem CID62684344
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name[3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-yl]methanamine
SMILESCc1cc(Sc2nccnc2CN)n(C)n1
InChIInChI=1S/C10H13N5S/c1-7-5-9(15(2)14-7)16-10-8(6-11)12-3-4-13-10/h3-5H,6,11H2,1-2H3
InChIKeyOCAGWAHYFVECJG-UHFFFAOYSA-N
XLogP1.13
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-yl]methanamine?
The IUPAC name of [3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-yl]methanamine (CID 62684344) is [3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-yl]methanamine?
The canonical SMILES for [3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-yl]methanamine is Cc1cc(Sc2nccnc2CN)n(C)n1.
What is the InChIKey of [3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-yl]methanamine?
The InChIKey is OCAGWAHYFVECJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-7-5-9(15(2)14-7)16-10-8(6-11)12-3-4-13-10/h3-5H,6,11H2,1-2H3.
What are the key properties of [3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-yl]methanamine?
[3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-yl]methanamine has a molecular weight of 235.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-yl]methanamine is sourced from PubChem (CID 62684344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).