3-[(5-methyl-1H-imidazol-2-yl)sulfanyl]pyrazine-2-carbonitrile

C9H7N5S — CID 91198156

IUPAC3-[(5-methyl-1H-imidazol-2-yl)sulfanyl]pyrazine-2-carbonitrile
SMILESCc1cnc(Sc2nccnc2C#N)[nH]1
InChIInChI=1S/C9H7N5S/c1-6-5-13-9(14-6)15-8-7(4-10)11-2-3-12-8/h2-3,5H,1H3,(H,13,14)
InChIKeyWKCYZQPASVAFOJ-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.53
Rot. Bonds2

About 3-[(5-methyl-1H-imidazol-2-yl)sulfanyl]pyrazine-2-carbonitrile

3-[(5-methyl-1H-imidazol-2-yl)sulfanyl]pyrazine-2-carbonitrile (PubChem CID 91198156) has the molecular formula C9H7N5S and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-[(5-methyl-1H-imidazol-2-yl)sulfanyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(5-methyl-1H-imidazol-2-yl)sulfanyl]pyrazine-2-carbonitrile
PubChem CID91198156
Molecular FormulaC9H7N5S
Molecular Weight217.26 g/mol
Exact Mass217.04
IUPAC Name3-[(5-methyl-1H-imidazol-2-yl)sulfanyl]pyrazine-2-carbonitrile
SMILESCc1cnc(Sc2nccnc2C#N)[nH]1
InChIInChI=1S/C9H7N5S/c1-6-5-13-9(14-6)15-8-7(4-10)11-2-3-12-8/h2-3,5H,1H3,(H,13,14)
InChIKeyWKCYZQPASVAFOJ-UHFFFAOYSA-N
XLogP1.53
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1H-imidazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(5-methyl-1H-imidazol-2-yl)sulfanyl]pyrazine-2-carbonitrile (CID 91198156) is 3-[(5-methyl-1H-imidazol-2-yl)sulfanyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(5-methyl-1H-imidazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(5-methyl-1H-imidazol-2-yl)sulfanyl]pyrazine-2-carbonitrile is Cc1cnc(Sc2nccnc2C#N)[nH]1.
What is the InChIKey of 3-[(5-methyl-1H-imidazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
The InChIKey is WKCYZQPASVAFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5S/c1-6-5-13-9(14-6)15-8-7(4-10)11-2-3-12-8/h2-3,5H,1H3,(H,13,14).
What are the key properties of 3-[(5-methyl-1H-imidazol-2-yl)sulfanyl]pyrazine-2-carbonitrile?
3-[(5-methyl-1H-imidazol-2-yl)sulfanyl]pyrazine-2-carbonitrile has a molecular weight of 217.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1H-imidazol-2-yl)sulfanyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 91198156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).