N-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C8H11N5S — CID 141086107

IUPACN-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCNc1nc(SC)nc2ccnn12
InChIInChI=1S/C8H11N5S/c1-3-9-7-12-8(14-2)11-6-4-5-10-13(6)7/h4-5H,3H2,1-2H3,(H,9,11,12)
InChIKeyMCSZNDFLDOTAAX-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.28
Rot. Bonds3

About N-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine

N-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 141086107) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is N-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID141086107
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC NameN-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCNc1nc(SC)nc2ccnn12
InChIInChI=1S/C8H11N5S/c1-3-9-7-12-8(14-2)11-6-4-5-10-13(6)7/h4-5H,3H2,1-2H3,(H,9,11,12)
InChIKeyMCSZNDFLDOTAAX-UHFFFAOYSA-N
XLogP1.28
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine 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 N-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 141086107) is N-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCNc1nc(SC)nc2ccnn12.
What is the InChIKey of N-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is MCSZNDFLDOTAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-3-9-7-12-8(14-2)11-6-4-5-10-13(6)7/h4-5H,3H2,1-2H3,(H,9,11,12).
What are the key properties of N-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
N-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 209.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 141086107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).