N-(2-methylsulfanylethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine

C7H10N6S2 — CID 154784455

IUPACN-(2-methylsulfanylethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine
SMILESCSCCNc1n[nH]c(-c2cnsn2)n1
InChIInChI=1S/C7H10N6S2/c1-14-3-2-8-7-10-6(11-12-7)5-4-9-15-13-5/h4H,2-3H2,1H3,(H2,8,10,11,12)
InChIKeyOYMSAGGOMGGKMR-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.10
Rot. Bonds5

About N-(2-methylsulfanylethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine

N-(2-methylsulfanylethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 154784455) has the molecular formula C7H10N6S2 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine
PubChem CID154784455
Molecular FormulaC7H10N6S2
Molecular Weight242.33 g/mol
Exact Mass242.04
IUPAC NameN-(2-methylsulfanylethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine
SMILESCSCCNc1n[nH]c(-c2cnsn2)n1
InChIInChI=1S/C7H10N6S2/c1-14-3-2-8-7-10-6(11-12-7)5-4-9-15-13-5/h4H,2-3H2,1H3,(H2,8,10,11,12)
InChIKeyOYMSAGGOMGGKMR-UHFFFAOYSA-N
XLogP1.10
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
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 N-(2-methylsulfanylethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-(2-methylsulfanylethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine (CID 154784455) is N-(2-methylsulfanylethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(2-methylsulfanylethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-(2-methylsulfanylethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine is CSCCNc1n[nH]c(-c2cnsn2)n1.
What is the InChIKey of N-(2-methylsulfanylethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is OYMSAGGOMGGKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S2/c1-14-3-2-8-7-10-6(11-12-7)5-4-9-15-13-5/h4H,2-3H2,1H3,(H2,8,10,11,12).
What are the key properties of N-(2-methylsulfanylethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine?
N-(2-methylsulfanylethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 242.33 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-5-(1,2,5-thiadiazol-3-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 154784455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).