[3-(1-methylimidazol-2-yl)sulfanylpyrazin-2-yl]methanamine

C9H11N5S — CID 62683484

IUPAC[3-(1-methylimidazol-2-yl)sulfanylpyrazin-2-yl]methanamine
SMILESCn1ccnc1Sc1nccnc1CN
InChIInChI=1S/C9H11N5S/c1-14-5-4-13-9(14)15-8-7(6-10)11-2-3-12-8/h2-5H,6,10H2,1H3
InChIKeyFWKXFWNJDDAHSD-UHFFFAOYSA-N
MW221.29 g/mol
LogP0.82
Rot. Bonds3

About [3-(1-methylimidazol-2-yl)sulfanylpyrazin-2-yl]methanamine

[3-(1-methylimidazol-2-yl)sulfanylpyrazin-2-yl]methanamine (PubChem CID 62683484) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is [3-(1-methylimidazol-2-yl)sulfanylpyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(1-methylimidazol-2-yl)sulfanylpyrazin-2-yl]methanamine
PubChem CID62683484
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name[3-(1-methylimidazol-2-yl)sulfanylpyrazin-2-yl]methanamine
SMILESCn1ccnc1Sc1nccnc1CN
InChIInChI=1S/C9H11N5S/c1-14-5-4-13-9(14)15-8-7(6-10)11-2-3-12-8/h2-5H,6,10H2,1H3
InChIKeyFWKXFWNJDDAHSD-UHFFFAOYSA-N
XLogP0.82
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methylimidazol-2-yl)sulfanylpyrazin-2-yl]methanamine?
The IUPAC name of [3-(1-methylimidazol-2-yl)sulfanylpyrazin-2-yl]methanamine (CID 62683484) is [3-(1-methylimidazol-2-yl)sulfanylpyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(1-methylimidazol-2-yl)sulfanylpyrazin-2-yl]methanamine?
The canonical SMILES for [3-(1-methylimidazol-2-yl)sulfanylpyrazin-2-yl]methanamine is Cn1ccnc1Sc1nccnc1CN.
What is the InChIKey of [3-(1-methylimidazol-2-yl)sulfanylpyrazin-2-yl]methanamine?
The InChIKey is FWKXFWNJDDAHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-14-5-4-13-9(14)15-8-7(6-10)11-2-3-12-8/h2-5H,6,10H2,1H3.
What are the key properties of [3-(1-methylimidazol-2-yl)sulfanylpyrazin-2-yl]methanamine?
[3-(1-methylimidazol-2-yl)sulfanylpyrazin-2-yl]methanamine has a molecular weight of 221.29 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylimidazol-2-yl)sulfanylpyrazin-2-yl]methanamine is sourced from PubChem (CID 62683484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).