5-amino-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile

C9H8N6S — CID 60924910

IUPAC5-amino-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
SMILESCn1cnnc1Sc1ncc(N)cc1C#N
InChIInChI=1S/C9H8N6S/c1-15-5-13-14-9(15)16-8-6(3-10)2-7(11)4-12-8/h2,4-5H,11H2,1H3
InChIKeyBVLIQTJDQRQACB-UHFFFAOYSA-N
MW232.27 g/mol
LogP0.82
Rot. Bonds2

About 5-amino-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile

5-amino-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile (PubChem CID 60924910) has the molecular formula C9H8N6S and a molecular weight of 232.27 g/mol. Its IUPAC name is 5-amino-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
PubChem CID60924910
Molecular FormulaC9H8N6S
Molecular Weight232.27 g/mol
Exact Mass232.05
IUPAC Name5-amino-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
SMILESCn1cnnc1Sc1ncc(N)cc1C#N
InChIInChI=1S/C9H8N6S/c1-15-5-13-14-9(15)16-8-6(3-10)2-7(11)4-12-8/h2,4-5H,11H2,1H3
InChIKeyBVLIQTJDQRQACB-UHFFFAOYSA-N
XLogP0.82
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile (CID 60924910) is 5-amino-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile is Cn1cnnc1Sc1ncc(N)cc1C#N.
What is the InChIKey of 5-amino-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile?
The InChIKey is BVLIQTJDQRQACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6S/c1-15-5-13-14-9(15)16-8-6(3-10)2-7(11)4-12-8/h2,4-5H,11H2,1H3.
What are the key properties of 5-amino-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile?
5-amino-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile has a molecular weight of 232.27 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile is sourced from PubChem (CID 60924910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).