(2R)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]butanoate

C10H11N4O3S- — CID 8991143

IUPAC(2R)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]butanoate
SMILESCC[C@@H](Sc1nnc(-c2ccco2)n1N)C(=O)[O-]
InChIInChI=1S/C10H12N4O3S/c1-2-7(9(15)16)18-10-13-12-8(14(10)11)6-4-3-5-17-6/h3-5,7H,2,11H2,1H3,(H,15,16)/p-1/t7-/m1/s1
InChIKeyRRFHZWFNLJPDMU-SSDOTTSWSA-M
MW267.29 g/mol
LogP-0.13
Rot. Bonds5

About (2R)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]butanoate

(2R)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]butanoate (PubChem CID 8991143) has the molecular formula C10H11N4O3S- and a molecular weight of 267.29 g/mol. Its IUPAC name is (2R)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]butanoate.

Molecular Properties

Compound Name(2R)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]butanoate
PubChem CID8991143
Molecular FormulaC10H11N4O3S-
Molecular Weight267.29 g/mol
Exact Mass267.06
IUPAC Name(2R)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]butanoate
SMILESCC[C@@H](Sc1nnc(-c2ccco2)n1N)C(=O)[O-]
InChIInChI=1S/C10H12N4O3S/c1-2-7(9(15)16)18-10-13-12-8(14(10)11)6-4-3-5-17-6/h3-5,7H,2,11H2,1H3,(H,15,16)/p-1/t7-/m1/s1
InChIKeyRRFHZWFNLJPDMU-SSDOTTSWSA-M
XLogP-0.13
TPSA110.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]butanoate with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-pentan-2-yl]acetamide
CID 7638048
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-methylpropanamide
CID 42969549
(2S)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile
CID 7273286
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 7273135
ethyl N-[2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]carbamate
CID 4852588
(2R)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 7273296
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide
CID 51235101
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-2-ethylhexyl]acetamide
CID 8581569
3-(furan-2-yl)-5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine
CID 46567685
(2S)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dichlorophenyl)propanamide
CID 8547388
(2R)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)propanamide
CID 7638114
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 4814229

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]butanoate?
The IUPAC name of (2R)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]butanoate (CID 8991143) is (2R)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]butanoate.
What is the SMILES notation for (2R)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]butanoate?
The canonical SMILES for (2R)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]butanoate is CC[C@@H](Sc1nnc(-c2ccco2)n1N)C(=O)[O-].
What is the InChIKey of (2R)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]butanoate?
The InChIKey is RRFHZWFNLJPDMU-SSDOTTSWSA-M. The full InChI is InChI=1S/C10H12N4O3S/c1-2-7(9(15)16)18-10-13-12-8(14(10)11)6-4-3-5-17-6/h3-5,7H,2,11H2,1H3,(H,15,16)/p-1/t7-/m1/s1.
What are the key properties of (2R)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]butanoate?
(2R)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]butanoate has a molecular weight of 267.29 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]butanoate is sourced from PubChem (CID 8991143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).