2-[[5-amino-4-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid

C11H19N5O3S — CID 114401293

IUPAC2-[[5-amino-4-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
SMILESCCN1CCOC(Cn2c(N)nnc2SCC(=O)O)C1
InChIInChI=1S/C11H19N5O3S/c1-2-15-3-4-19-8(5-15)6-16-10(12)13-14-11(16)20-7-9(17)18/h8H,2-7H2,1H3,(H2,12,13)(H,17,18)
InChIKeyYGBCXMLJRADLCT-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.24
Rot. Bonds6

About 2-[[5-amino-4-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid

2-[[5-amino-4-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid (PubChem CID 114401293) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[[5-amino-4-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[5-amino-4-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
PubChem CID114401293
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name2-[[5-amino-4-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
SMILESCCN1CCOC(Cn2c(N)nnc2SCC(=O)O)C1
InChIInChI=1S/C11H19N5O3S/c1-2-15-3-4-19-8(5-15)6-16-10(12)13-14-11(16)20-7-9(17)18/h8H,2-7H2,1H3,(H2,12,13)(H,17,18)
InChIKeyYGBCXMLJRADLCT-UHFFFAOYSA-N
XLogP-0.24
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[5-amino-4-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid with MolForge

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Related Compounds

2-[[5-amino-4-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 64572620
2-[[5-amino-4-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 64573073
3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid
CID 95426355
2-[[5-amino-4-(thiolan-3-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 107298393
2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid
CID 79172074
5-(2-aminoethyl)-1-[(4-ethylmorpholin-2-yl)methyl]triazole-4-carboxylic acid
CID 103119379
2-[[5-amino-4-(2,2-dimethylbutyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 103465045
2-[1-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 79172170
1-[(4-ethylmorpholin-2-yl)methyl]-6,7-difluorobenzimidazol-2-amine
CID 114400774
[5-[(4-ethylmorpholin-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 79172247
2-[[5-amino-4-(1-morpholin-4-ylpropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 64573716
[1-[(4-ethylmorpholin-2-yl)methyl]triazol-4-yl]methanol
CID 79183183

Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-4-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[5-amino-4-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid (CID 114401293) is 2-[[5-amino-4-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[5-amino-4-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[5-amino-4-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid is CCN1CCOC(Cn2c(N)nnc2SCC(=O)O)C1.
What is the InChIKey of 2-[[5-amino-4-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid?
The InChIKey is YGBCXMLJRADLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-2-15-3-4-19-8(5-15)6-16-10(12)13-14-11(16)20-7-9(17)18/h8H,2-7H2,1H3,(H2,12,13)(H,17,18).
What are the key properties of 2-[[5-amino-4-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid?
2-[[5-amino-4-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid has a molecular weight of 301.37 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-4-[(4-ethylmorpholin-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid is sourced from PubChem (CID 114401293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).