2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)acetamide

C10H17N5O4S — CID 61105623

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)acetamide
SMILESNc1ncn(CC(=O)N(CCO)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H17N5O4S/c11-10-12-7-14(13-10)5-9(17)15(2-3-16)8-1-4-20(18,19)6-8/h7-8,16H,1-6H2,(H2,11,13)
InChIKeyWNJDDKKYBAWFDJ-UHFFFAOYSA-N
MW303.34 g/mol
LogP-2.13
Rot. Bonds5

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)acetamide (PubChem CID 61105623) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)acetamide
PubChem CID61105623
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)acetamide
SMILESNc1ncn(CC(=O)N(CCO)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H17N5O4S/c11-10-12-7-14(13-10)5-9(17)15(2-3-16)8-1-4-20(18,19)6-8/h7-8,16H,1-6H2,(H2,11,13)
InChIKeyWNJDDKKYBAWFDJ-UHFFFAOYSA-N
XLogP-2.13
TPSA131.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-2.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 54901519
2-[(1,1-Dioxothiolan-3-yl)-[2-(1,2,4-triazol-1-yl)acetyl]amino]acetic acid
CID 60845211
2-[(1,1-Dioxothiolan-3-yl)-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid
CID 60845561
2-[(1,1-Dioxothiolan-3-yl)-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid
CID 60845736
2-[(1,1-Dioxothiolan-3-yl)-[2-(tetrazol-1-yl)acetyl]amino]acetic acid
CID 60846069
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-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
CID 61106237
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
2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylacetamide
CID 61114222
2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)acetamide
CID 61139008
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)-1H-1,2,4-triazole-5-carboxamide
CID 80369953

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)acetamide (CID 61105623) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)acetamide is Nc1ncn(CC(=O)N(CCO)C2CCS(=O)(=O)C2)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is WNJDDKKYBAWFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4S/c11-10-12-7-14(13-10)5-9(17)15(2-3-16)8-1-4-20(18,19)6-8/h7-8,16H,1-6H2,(H2,11,13).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 303.34 g/mol, XLogP of -2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 61105623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).