3-(4-aminophenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine

C10H13N5S — CID 56772683

IUPAC3-(4-aminophenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine
SMILESCCc1nnc(Sc2ccc(N)cc2)n1N
InChIInChI=1S/C10H13N5S/c1-2-9-13-14-10(15(9)12)16-8-5-3-7(11)4-6-8/h3-6H,2,11-12H2,1H3
InChIKeyFAIDSCFWCWRZOF-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.29
Rot. Bonds3

About 3-(4-aminophenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine

3-(4-aminophenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine (PubChem CID 56772683) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 3-(4-aminophenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(4-aminophenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine
PubChem CID56772683
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name3-(4-aminophenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine
SMILESCCc1nnc(Sc2ccc(N)cc2)n1N
InChIInChI=1S/C10H13N5S/c1-2-9-13-14-10(15(9)12)16-8-5-3-7(11)4-6-8/h3-6H,2,11-12H2,1H3
InChIKeyFAIDSCFWCWRZOF-UHFFFAOYSA-N
XLogP1.29
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-(4-aminophenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine (CID 56772683) is 3-(4-aminophenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(4-aminophenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(4-aminophenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine is CCc1nnc(Sc2ccc(N)cc2)n1N.
What is the InChIKey of 3-(4-aminophenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine?
The InChIKey is FAIDSCFWCWRZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-2-9-13-14-10(15(9)12)16-8-5-3-7(11)4-6-8/h3-6H,2,11-12H2,1H3.
What are the key properties of 3-(4-aminophenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine?
3-(4-aminophenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine has a molecular weight of 235.32 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 56772683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).