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

C11H15N5OS — CID 56772700

IUPAC3-(4-amino-2-methoxyphenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine
SMILESCCc1nnc(Sc2ccc(N)cc2OC)n1N
InChIInChI=1S/C11H15N5OS/c1-3-10-14-15-11(16(10)13)18-9-5-4-7(12)6-8(9)17-2/h4-6H,3,12-13H2,1-2H3
InChIKeyQGYIXKZAIMJVCW-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.30
Rot. Bonds4

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

3-(4-amino-2-methoxyphenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine (PubChem CID 56772700) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-(4-amino-2-methoxyphenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(4-amino-2-methoxyphenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine
PubChem CID56772700
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name3-(4-amino-2-methoxyphenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine
SMILESCCc1nnc(Sc2ccc(N)cc2OC)n1N
InChIInChI=1S/C11H15N5OS/c1-3-10-14-15-11(16(10)13)18-9-5-4-7(12)6-8(9)17-2/h4-6H,3,12-13H2,1-2H3
InChIKeyQGYIXKZAIMJVCW-UHFFFAOYSA-N
XLogP1.30
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-amino-2-methoxyphenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-(4-amino-2-methoxyphenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine (CID 56772700) is 3-(4-amino-2-methoxyphenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(4-amino-2-methoxyphenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(4-amino-2-methoxyphenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine is CCc1nnc(Sc2ccc(N)cc2OC)n1N.
What is the InChIKey of 3-(4-amino-2-methoxyphenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine?
The InChIKey is QGYIXKZAIMJVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-3-10-14-15-11(16(10)13)18-9-5-4-7(12)6-8(9)17-2/h4-6H,3,12-13H2,1-2H3.
What are the key properties of 3-(4-amino-2-methoxyphenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine?
3-(4-amino-2-methoxyphenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine has a molecular weight of 265.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-methoxyphenyl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 56772700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).