3-(2-aminoethylsulfanyl)-5-(2-phenylethyl)-1,2,4-triazol-4-amine

C12H17N5S — CID 28916016

IUPAC3-(2-aminoethylsulfanyl)-5-(2-phenylethyl)-1,2,4-triazol-4-amine
SMILESNCCSc1nnc(CCc2ccccc2)n1N
InChIInChI=1S/C12H17N5S/c13-8-9-18-12-16-15-11(17(12)14)7-6-10-4-2-1-3-5-10/h1-5H,6-9,13-14H2
InChIKeyRXHUYCJWTDMJLP-UHFFFAOYSA-N
MW263.37 g/mol
LogP0.83
Rot. Bonds6

About 3-(2-aminoethylsulfanyl)-5-(2-phenylethyl)-1,2,4-triazol-4-amine

3-(2-aminoethylsulfanyl)-5-(2-phenylethyl)-1,2,4-triazol-4-amine (PubChem CID 28916016) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-(2-aminoethylsulfanyl)-5-(2-phenylethyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(2-aminoethylsulfanyl)-5-(2-phenylethyl)-1,2,4-triazol-4-amine
PubChem CID28916016
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name3-(2-aminoethylsulfanyl)-5-(2-phenylethyl)-1,2,4-triazol-4-amine
SMILESNCCSc1nnc(CCc2ccccc2)n1N
InChIInChI=1S/C12H17N5S/c13-8-9-18-12-16-15-11(17(12)14)7-6-10-4-2-1-3-5-10/h1-5H,6-9,13-14H2
InChIKeyRXHUYCJWTDMJLP-UHFFFAOYSA-N
XLogP0.83
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-amino-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-dioxoisoindol-5-yl)propanamide
CID 17047473
3-(2-aminoethylsulfanyl)-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-4-amine
CID 28916028
3-[(3-methoxyphenoxy)methyl]-5-(3-phenylpropylsulfanyl)-1,2,4-triazol-4-amine
CID 46583445
3-(3-aminopropylsulfanyl)-5-butyl-1,2,4-triazol-4-amine
CID 28915797
3-(2-phenylethylsulfanyl)-1,2,4-triazol-4-amine
CID 7730055
3-(2-chlorophenyl)-5-(3-phenylpropylsulfanyl)-1,2,4-triazol-4-amine
CID 9119985
3-[2-(4-methoxyphenyl)ethylsulfanyl]-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine
CID 7169891
2-[[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 132789405
3-benzyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 91679075
methyl 2-[3-[[4-amino-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 17047469
3-[(3-methoxyphenoxy)methyl]-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-4-amine
CID 30862356
3-benzyl-4-(3-methylphenyl)-5-(2-phenylethylsulfanyl)-1,2,4-triazole
CID 126110881

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylsulfanyl)-5-(2-phenylethyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-(2-aminoethylsulfanyl)-5-(2-phenylethyl)-1,2,4-triazol-4-amine (CID 28916016) is 3-(2-aminoethylsulfanyl)-5-(2-phenylethyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(2-aminoethylsulfanyl)-5-(2-phenylethyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(2-aminoethylsulfanyl)-5-(2-phenylethyl)-1,2,4-triazol-4-amine is NCCSc1nnc(CCc2ccccc2)n1N.
What is the InChIKey of 3-(2-aminoethylsulfanyl)-5-(2-phenylethyl)-1,2,4-triazol-4-amine?
The InChIKey is RXHUYCJWTDMJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c13-8-9-18-12-16-15-11(17(12)14)7-6-10-4-2-1-3-5-10/h1-5H,6-9,13-14H2.
What are the key properties of 3-(2-aminoethylsulfanyl)-5-(2-phenylethyl)-1,2,4-triazol-4-amine?
3-(2-aminoethylsulfanyl)-5-(2-phenylethyl)-1,2,4-triazol-4-amine has a molecular weight of 263.37 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylsulfanyl)-5-(2-phenylethyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 28916016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).