2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide

C11H19N5O2S — CID 61106237

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
SMILESCOCCN(C(=O)Cn1cnc(N)n1)C1CCSC1
InChIInChI=1S/C11H19N5O2S/c1-18-4-3-16(9-2-5-19-7-9)10(17)6-15-8-13-11(12)14-15/h8-9H,2-7H2,1H3,(H2,12,14)
InChIKeyBHUVAERKMVMLML-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.16
Rot. Bonds6

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide (PubChem CID 61106237) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
PubChem CID61106237
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
SMILESCOCCN(C(=O)Cn1cnc(N)n1)C1CCSC1
InChIInChI=1S/C11H19N5O2S/c1-18-4-3-16(9-2-5-19-7-9)10(17)6-15-8-13-11(12)14-15/h8-9H,2-7H2,1H3,(H2,12,14)
InChIKeyBHUVAERKMVMLML-UHFFFAOYSA-N
XLogP-0.16
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)acetamide
CID 55000617
2-(3-amino-1,2,4-triazol-1-yl)-N-butan-2-yl-N-(2-methoxyethyl)acetamide
CID 55001610
2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 61015791
2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-(thiolan-3-yl)acetamide
CID 61017012
2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)acetamide
CID 61105623
2-(3-amino-1,2,4-triazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
CID 61106580
2-(3-amino-1,2,4-triazol-1-yl)-N-ethyl-N-(1-methoxypropan-2-yl)acetamide
CID 61107343
2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(2-methoxyethyl)acetamide
CID 61109095
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-pentan-3-ylacetamide
CID 61109415
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methoxypropan-2-yl)-N-methylacetamide
CID 61110637
2-(3-amino-1,2,4-triazol-1-yl)-N-butyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 61111482
2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 61113424

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide (CID 61106237) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide is COCCN(C(=O)Cn1cnc(N)n1)C1CCSC1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide?
The InChIKey is BHUVAERKMVMLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-18-4-3-16(9-2-5-19-7-9)10(17)6-15-8-13-11(12)14-15/h8-9H,2-7H2,1H3,(H2,12,14).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide has a molecular weight of 285.37 g/mol, XLogP of -0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide is sourced from PubChem (CID 61106237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).