2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)acetamide

C6H10N6O2S — CID 7704555

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1n[nH]c(N)n1
InChIInChI=1S/C6H10N6O2S/c1-8-5(14)9-3(13)2-15-6-10-4(7)11-12-6/h2H2,1H3,(H3,7,10,11,12)(H2,8,9,13,14)
InChIKeyJICWTVBOLIGWNG-UHFFFAOYSA-N
MW230.25 g/mol
LogP-1.07
Rot. Bonds3

About 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)acetamide

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)acetamide (PubChem CID 7704555) has the molecular formula C6H10N6O2S and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)acetamide
PubChem CID7704555
Molecular FormulaC6H10N6O2S
Molecular Weight230.25 g/mol
Exact Mass230.06
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CSc1n[nH]c(N)n1
InChIInChI=1S/C6H10N6O2S/c1-8-5(14)9-3(13)2-15-6-10-4(7)11-12-6/h2H2,1H3,(H3,7,10,11,12)(H2,8,9,13,14)
InChIKeyJICWTVBOLIGWNG-UHFFFAOYSA-N
XLogP-1.07
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-(Methylthio)-1H-1,2,4-triazol-5-yl)acetamide
CID 1248169
N-(3-propylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
CID 5307194
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 3303284
S-[2-[(5-acetamido-1H-1,2,4-triazol-3-yl)-methylamino]ethyl] ethanethioate
CID 14893655
S-[1-[(5-acetamido-1H-1,2,4-triazol-3-yl)amino]ethyl] ethanethioate
CID 19827341
S-[2-[(5-acetamido-1H-1,2,4-triazol-3-yl)amino]ethyl] ethanethioate
CID 21642785
N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-2-sulfanylacetamide
CID 88909743
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 2628654
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide
CID 2630093
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 2630097
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-carbamoylacetamide
CID 4295590
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)acetamide
CID 4547292

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)acetamide (CID 7704555) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CSc1n[nH]c(N)n1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)acetamide?
The InChIKey is JICWTVBOLIGWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O2S/c1-8-5(14)9-3(13)2-15-6-10-4(7)11-12-6/h2H2,1H3,(H3,7,10,11,12)(H2,8,9,13,14).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)acetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)acetamide has a molecular weight of 230.25 g/mol, XLogP of -1.07, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 7704555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).