7-amino-2,5-bis(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

C8H8N6S2 — CID 21034624

IUPAC7-amino-2,5-bis(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCSc1nc2nc(SC)c(C#N)c(N)n2n1
InChIInChI=1S/C8H8N6S2/c1-15-6-4(3-9)5(10)14-7(11-6)12-8(13-14)16-2/h10H2,1-2H3
InChIKeyJZDDDKLXTPIIMX-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.02
Rot. Bonds2

About 7-amino-2,5-bis(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-2,5-bis(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 21034624) has the molecular formula C8H8N6S2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 7-amino-2,5-bis(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-2,5-bis(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID21034624
Molecular FormulaC8H8N6S2
Molecular Weight252.33 g/mol
Exact Mass252.03
IUPAC Name7-amino-2,5-bis(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCSc1nc2nc(SC)c(C#N)c(N)n2n1
InChIInChI=1S/C8H8N6S2/c1-15-6-4(3-9)5(10)14-7(11-6)12-8(13-14)16-2/h10H2,1-2H3
InChIKeyJZDDDKLXTPIIMX-UHFFFAOYSA-N
XLogP1.02
TPSA92.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-amino-2,5-bis(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-amino-2,5-bis(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-2,5-bis(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (CID 21034624) is 7-amino-2,5-bis(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-2,5-bis(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-2,5-bis(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is CSc1nc2nc(SC)c(C#N)c(N)n2n1.
What is the InChIKey of 7-amino-2,5-bis(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is JZDDDKLXTPIIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6S2/c1-15-6-4(3-9)5(10)14-7(11-6)12-8(13-14)16-2/h10H2,1-2H3.
What are the key properties of 7-amino-2,5-bis(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-2,5-bis(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 252.33 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2,5-bis(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 21034624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).