1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-amine

C9H11N5S — CID 63380597

IUPAC1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-amine
SMILESCc1nn(C)c(Sc2cnccn2)c1N
InChIInChI=1S/C9H11N5S/c1-6-8(10)9(14(2)13-6)15-7-5-11-3-4-12-7/h3-5H,10H2,1-2H3
InChIKeyUARRUGOFSJYOHT-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.25
Rot. Bonds2

About 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-amine

1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-amine (PubChem CID 63380597) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-amine
PubChem CID63380597
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-amine
SMILESCc1nn(C)c(Sc2cnccn2)c1N
InChIInChI=1S/C9H11N5S/c1-6-8(10)9(14(2)13-6)15-7-5-11-3-4-12-7/h3-5H,10H2,1-2H3
InChIKeyUARRUGOFSJYOHT-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 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-amine (CID 63380597) is 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-amine is Cc1nn(C)c(Sc2cnccn2)c1N.
What is the InChIKey of 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-amine?
The InChIKey is UARRUGOFSJYOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-6-8(10)9(14(2)13-6)15-7-5-11-3-4-12-7/h3-5H,10H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-amine?
1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-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 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazol-4-amine is sourced from PubChem (CID 63380597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).