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

C7H13N5O3S — CID 61016534

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylsulfonylethyl)acetamide
SMILESCS(=O)(=O)CCNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C7H13N5O3S/c1-16(14,15)3-2-9-6(13)4-12-5-10-7(8)11-12/h5H,2-4H2,1H3,(H2,8,11)(H,9,13)
InChIKeyMISNRCZRDBODMB-UHFFFAOYSA-N
MW247.28 g/mol
LogP-1.98
Rot. Bonds5

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

2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylsulfonylethyl)acetamide (PubChem CID 61016534) has the molecular formula C7H13N5O3S and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylsulfonylethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylsulfonylethyl)acetamide
PubChem CID61016534
Molecular FormulaC7H13N5O3S
Molecular Weight247.28 g/mol
Exact Mass247.07
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylsulfonylethyl)acetamide
SMILESCS(=O)(=O)CCNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C7H13N5O3S/c1-16(14,15)3-2-9-6(13)4-12-5-10-7(8)11-12/h5H,2-4H2,1H3,(H2,8,11)(H,9,13)
InChIKeyMISNRCZRDBODMB-UHFFFAOYSA-N
XLogP-1.98
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-1.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
CID 106425302
N-(2-methylsulfanylethyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 23274405
2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 54901519
2-(3-amino-1,2,4-triazol-1-yl)-N-(1,1-dioxothian-4-yl)acetamide
CID 54901620
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 54901713
2-(3-Amino-1,2,4-triazol-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 54902133
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-sulfamoylethyl)acetamide
CID 61016737
2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-N-methylacetamide
CID 61017113
N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 61066699
N-(2-sulfamoylethyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 61066852
2-(3-Amino-1,2,4-triazol-1-yl)-1-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 61108807

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylsulfonylethyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylsulfonylethyl)acetamide (CID 61016534) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylsulfonylethyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylsulfonylethyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylsulfonylethyl)acetamide is CS(=O)(=O)CCNC(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylsulfonylethyl)acetamide?
The InChIKey is MISNRCZRDBODMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O3S/c1-16(14,15)3-2-9-6(13)4-12-5-10-7(8)11-12/h5H,2-4H2,1H3,(H2,8,11)(H,9,13).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylsulfonylethyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-methylsulfonylethyl)acetamide has a molecular weight of 247.28 g/mol, XLogP of -1.98, 5 rotatable bonds, 2 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-methylsulfonylethyl)acetamide is sourced from PubChem (CID 61016534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).