1-[(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile

C11H16N6S — CID 110172634

IUPAC1-[(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile
SMILESCSc1nc(N)nc(NC2(C#N)CCCCC2)n1
InChIInChI=1S/C11H16N6S/c1-18-10-15-8(13)14-9(16-10)17-11(7-12)5-3-2-4-6-11/h2-6H2,1H3,(H3,13,14,15,16,17)
InChIKeyVGGMCKUCXBUUGR-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.81
Rot. Bonds3

About 1-[(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile

1-[(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile (PubChem CID 110172634) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 1-[(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile
PubChem CID110172634
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name1-[(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile
SMILESCSc1nc(N)nc(NC2(C#N)CCCCC2)n1
InChIInChI=1S/C11H16N6S/c1-18-10-15-8(13)14-9(16-10)17-11(7-12)5-3-2-4-6-11/h2-6H2,1H3,(H3,13,14,15,16,17)
InChIKeyVGGMCKUCXBUUGR-UHFFFAOYSA-N
XLogP1.81
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]cyclohexane-1-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 1-[(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile (CID 110172634) is 1-[(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile is CSc1nc(N)nc(NC2(C#N)CCCCC2)n1.
What is the InChIKey of 1-[(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile?
The InChIKey is VGGMCKUCXBUUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-18-10-15-8(13)14-9(16-10)17-11(7-12)5-3-2-4-6-11/h2-6H2,1H3,(H3,13,14,15,16,17).
What are the key properties of 1-[(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile?
1-[(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile has a molecular weight of 264.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 110172634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).