3-ethyl-N-[3-(2-methyl-1,2,4-triazol-3-yl)propyl]-1,2,4-thiadiazol-5-amine

C10H16N6S — CID 125423835

IUPAC3-ethyl-N-[3-(2-methyl-1,2,4-triazol-3-yl)propyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCCc2ncnn2C)n1
InChIInChI=1S/C10H16N6S/c1-3-8-14-10(17-15-8)11-6-4-5-9-12-7-13-16(9)2/h7H,3-6H2,1-2H3,(H,11,14,15)
InChIKeyHIBNCEHZGGHITM-UHFFFAOYSA-N
MW252.35 g/mol
LogP1.27
Rot. Bonds6

About 3-ethyl-N-[3-(2-methyl-1,2,4-triazol-3-yl)propyl]-1,2,4-thiadiazol-5-amine

3-ethyl-N-[3-(2-methyl-1,2,4-triazol-3-yl)propyl]-1,2,4-thiadiazol-5-amine (PubChem CID 125423835) has the molecular formula C10H16N6S and a molecular weight of 252.35 g/mol. Its IUPAC name is 3-ethyl-N-[3-(2-methyl-1,2,4-triazol-3-yl)propyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-[3-(2-methyl-1,2,4-triazol-3-yl)propyl]-1,2,4-thiadiazol-5-amine
PubChem CID125423835
Molecular FormulaC10H16N6S
Molecular Weight252.35 g/mol
Exact Mass252.12
IUPAC Name3-ethyl-N-[3-(2-methyl-1,2,4-triazol-3-yl)propyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCCc2ncnn2C)n1
InChIInChI=1S/C10H16N6S/c1-3-8-14-10(17-15-8)11-6-4-5-9-12-7-13-16(9)2/h7H,3-6H2,1-2H3,(H,11,14,15)
InChIKeyHIBNCEHZGGHITM-UHFFFAOYSA-N
XLogP1.27
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[3-(2-methyl-1,2,4-triazol-3-yl)propyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-[3-(2-methyl-1,2,4-triazol-3-yl)propyl]-1,2,4-thiadiazol-5-amine (CID 125423835) is 3-ethyl-N-[3-(2-methyl-1,2,4-triazol-3-yl)propyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-[3-(2-methyl-1,2,4-triazol-3-yl)propyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-[3-(2-methyl-1,2,4-triazol-3-yl)propyl]-1,2,4-thiadiazol-5-amine is CCc1nsc(NCCCc2ncnn2C)n1.
What is the InChIKey of 3-ethyl-N-[3-(2-methyl-1,2,4-triazol-3-yl)propyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is HIBNCEHZGGHITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6S/c1-3-8-14-10(17-15-8)11-6-4-5-9-12-7-13-16(9)2/h7H,3-6H2,1-2H3,(H,11,14,15).
What are the key properties of 3-ethyl-N-[3-(2-methyl-1,2,4-triazol-3-yl)propyl]-1,2,4-thiadiazol-5-amine?
3-ethyl-N-[3-(2-methyl-1,2,4-triazol-3-yl)propyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 252.35 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[3-(2-methyl-1,2,4-triazol-3-yl)propyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 125423835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).