N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C5H8N4OS — CID 1490782

IUPACN-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCNC(=O)CSc1ncn[nH]1
InChIInChI=1S/C5H8N4OS/c1-6-4(10)2-11-5-7-3-8-9-5/h3H,2H2,1H3,(H,6,10)(H,7,8,9)
InChIKeyVYHAHKIIJDSKJX-UHFFFAOYSA-N
MW172.21 g/mol
LogP-0.36
Rot. Bonds3

About N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 1490782) has the molecular formula C5H8N4OS and a molecular weight of 172.21 g/mol. Its IUPAC name is N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID1490782
Molecular FormulaC5H8N4OS
Molecular Weight172.21 g/mol
Exact Mass172.04
IUPAC NameN-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCNC(=O)CSc1ncn[nH]1
InChIInChI=1S/C5H8N4OS/c1-6-4(10)2-11-5-7-3-8-9-5/h3H,2H2,1H3,(H,6,10)(H,7,8,9)
InChIKeyVYHAHKIIJDSKJX-UHFFFAOYSA-N
XLogP-0.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 1490782) is N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is CNC(=O)CSc1ncn[nH]1.
What is the InChIKey of N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is VYHAHKIIJDSKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4OS/c1-6-4(10)2-11-5-7-3-8-9-5/h3H,2H2,1H3,(H,6,10)(H,7,8,9).
What are the key properties of N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 172.21 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 1490782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).