2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetic acid

C10H10N4O2S — CID 60708323

IUPAC2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetic acid
SMILESNn1cnnc1SC(C(=O)O)c1ccccc1
InChIInChI=1S/C10H10N4O2S/c11-14-6-12-13-10(14)17-8(9(15)16)7-4-2-1-3-5-7/h1-6,8H,11H2,(H,15,16)
InChIKeySVSDTMATPVQZHG-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.91
Rot. Bonds4

About 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetic acid

2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetic acid (PubChem CID 60708323) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetic acid
PubChem CID60708323
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetic acid
SMILESNn1cnnc1SC(C(=O)O)c1ccccc1
InChIInChI=1S/C10H10N4O2S/c11-14-6-12-13-10(14)17-8(9(15)16)7-4-2-1-3-5-7/h1-6,8H,11H2,(H,15,16)
InChIKeySVSDTMATPVQZHG-UHFFFAOYSA-N
XLogP0.91
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-chloro-4-methylphenyl)-2-phenylacetamide
CID 7977499
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]propanoic acid
CID 45134923
(2R)-2-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetic acid
CID 40555263
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-phenylpropyl]acetamide
CID 7977632
(2S)-2-[[5-[(R)-carboxy(phenyl)methyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-2-phenylacetic acid
CID 27153276
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N,2-diphenylacetamide
CID 46658289
2-phenyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 134095383
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 16592251
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 859356
3-(2-phenylethylsulfanyl)-1,2,4-triazol-4-amine
CID 7730055
(2S)-2-phenyl-2-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 42091861
(2R)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 40646917

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetic acid?
The IUPAC name of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetic acid (CID 60708323) is 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetic acid.
What is the SMILES notation for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetic acid?
The canonical SMILES for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetic acid is Nn1cnnc1SC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetic acid?
The InChIKey is SVSDTMATPVQZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c11-14-6-12-13-10(14)17-8(9(15)16)7-4-2-1-3-5-7/h1-6,8H,11H2,(H,15,16).
What are the key properties of 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetic acid?
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetic acid has a molecular weight of 250.28 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetic acid is sourced from PubChem (CID 60708323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).