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

C10H10N6S — CID 63538721

IUPAC5-amino-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
SMILESCc1nnc(Sc2ncc(N)cc2C#N)n1C
InChIInChI=1S/C10H10N6S/c1-6-14-15-10(16(6)2)17-9-7(4-11)3-8(12)5-13-9/h3,5H,12H2,1-2H3
InChIKeyUSZQLHWXQXZCNP-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.12
Rot. Bonds2

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

5-amino-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile (PubChem CID 63538721) has the molecular formula C10H10N6S and a molecular weight of 246.30 g/mol. Its IUPAC name is 5-amino-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
PubChem CID63538721
Molecular FormulaC10H10N6S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name5-amino-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile
SMILESCc1nnc(Sc2ncc(N)cc2C#N)n1C
InChIInChI=1S/C10H10N6S/c1-6-14-15-10(16(6)2)17-9-7(4-11)3-8(12)5-13-9/h3,5H,12H2,1-2H3
InChIKeyUSZQLHWXQXZCNP-UHFFFAOYSA-N
XLogP1.12
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile (CID 63538721) is 5-amino-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile is Cc1nnc(Sc2ncc(N)cc2C#N)n1C.
What is the InChIKey of 5-amino-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile?
The InChIKey is USZQLHWXQXZCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6S/c1-6-14-15-10(16(6)2)17-9-7(4-11)3-8(12)5-13-9/h3,5H,12H2,1-2H3.
What are the key properties of 5-amino-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile?
5-amino-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile has a molecular weight of 246.30 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-3-carbonitrile is sourced from PubChem (CID 63538721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).