1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carbonitrile

C10H9N5S — CID 55241739

IUPAC1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(Sc2cnccn2)c1C#N
InChIInChI=1S/C10H9N5S/c1-7-8(5-11)10(15(2)14-7)16-9-6-12-3-4-13-9/h3-4,6H,1-2H3
InChIKeyYPNPGJFXKMOVMH-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.54
Rot. Bonds2

About 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carbonitrile

1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carbonitrile (PubChem CID 55241739) has the molecular formula C10H9N5S and a molecular weight of 231.28 g/mol. Its IUPAC name is 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carbonitrile
PubChem CID55241739
Molecular FormulaC10H9N5S
Molecular Weight231.28 g/mol
Exact Mass231.06
IUPAC Name1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(Sc2cnccn2)c1C#N
InChIInChI=1S/C10H9N5S/c1-7-8(5-11)10(15(2)14-7)16-9-6-12-3-4-13-9/h3-4,6H,1-2H3
InChIKeyYPNPGJFXKMOVMH-UHFFFAOYSA-N
XLogP1.54
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carbonitrile (CID 55241739) is 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carbonitrile is Cc1nn(C)c(Sc2cnccn2)c1C#N.
What is the InChIKey of 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carbonitrile?
The InChIKey is YPNPGJFXKMOVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S/c1-7-8(5-11)10(15(2)14-7)16-9-6-12-3-4-13-9/h3-4,6H,1-2H3.
What are the key properties of 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carbonitrile?
1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carbonitrile has a molecular weight of 231.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-pyrazin-2-ylsulfanylpyrazole-4-carbonitrile is sourced from PubChem (CID 55241739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).