3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-1H-1,2,4-triazole-5-carboxamide

C10H17N5O4S — CID 62793330

IUPAC3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCOCCN(C(=O)c1nc(N)n[nH]1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17N5O4S/c1-19-4-3-15(7-2-5-20(17,18)6-7)9(16)8-12-10(11)14-13-8/h7H,2-6H2,1H3,(H3,11,12,13,14)
InChIKeyLOEFKEFZIWMXDU-UHFFFAOYSA-N
MW303.34 g/mol
LogP-1.34
Rot. Bonds5

About 3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62793330) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62793330
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC Name3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCOCCN(C(=O)c1nc(N)n[nH]1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17N5O4S/c1-19-4-3-15(7-2-5-20(17,18)6-7)9(16)8-12-10(11)14-13-8/h7H,2-6H2,1H3,(H3,11,12,13,14)
InChIKeyLOEFKEFZIWMXDU-UHFFFAOYSA-N
XLogP-1.34
TPSA131.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-1H-1,2,4-triazole-5-carboxamide (CID 62793330) is 3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-1H-1,2,4-triazole-5-carboxamide is COCCN(C(=O)c1nc(N)n[nH]1)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is LOEFKEFZIWMXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4S/c1-19-4-3-15(7-2-5-20(17,18)6-7)9(16)8-12-10(11)14-13-8/h7H,2-6H2,1H3,(H3,11,12,13,14).
What are the key properties of 3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 303.34 g/mol, XLogP of -1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62793330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).