2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetonitrile

C10H11N5S — CID 3606535

IUPAC2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetonitrile
SMILESCc1nc2nc(SCC#N)nn2c(C)c1C
InChIInChI=1S/C10H11N5S/c1-6-7(2)12-9-13-10(16-5-4-11)14-15(9)8(6)3/h5H2,1-3H3
InChIKeyQIWMTPDXFYURHS-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.67
Rot. Bonds2

About 2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetonitrile

2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetonitrile (PubChem CID 3606535) has the molecular formula C10H11N5S and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetonitrile.

Molecular Properties

Compound Name2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetonitrile
PubChem CID3606535
Molecular FormulaC10H11N5S
Molecular Weight233.30 g/mol
Exact Mass233.07
IUPAC Name2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetonitrile
SMILESCc1nc2nc(SCC#N)nn2c(C)c1C
InChIInChI=1S/C10H11N5S/c1-6-7(2)12-9-13-10(16-5-4-11)14-15(9)8(6)3/h5H2,1-3H3
InChIKeyQIWMTPDXFYURHS-UHFFFAOYSA-N
XLogP1.67
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetonitrile 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 2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetonitrile?
The IUPAC name of 2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetonitrile (CID 3606535) is 2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetonitrile.
What is the SMILES notation for 2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetonitrile?
The canonical SMILES for 2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetonitrile is Cc1nc2nc(SCC#N)nn2c(C)c1C.
What is the InChIKey of 2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetonitrile?
The InChIKey is QIWMTPDXFYURHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S/c1-6-7(2)12-9-13-10(16-5-4-11)14-15(9)8(6)3/h5H2,1-3H3.
What are the key properties of 2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetonitrile?
2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetonitrile has a molecular weight of 233.30 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetonitrile is sourced from PubChem (CID 3606535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).