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

C6H8N8OS — CID 653899

IUPACN-(2-methyltetrazol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCn1nnc(NC(=O)CSc2ncn[nH]2)n1
InChIInChI=1S/C6H8N8OS/c1-14-12-5(10-13-14)9-4(15)2-16-6-7-3-8-11-6/h3H,2H2,1H3,(H,7,8,11)(H,9,12,15)
InChIKeyCJFGBXMXPYURQX-UHFFFAOYSA-N
MW240.25 g/mol
LogP-0.94
Rot. Bonds4

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

N-(2-methyltetrazol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 653899) has the molecular formula C6H8N8OS and a molecular weight of 240.25 g/mol. Its IUPAC name is N-(2-methyltetrazol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-methyltetrazol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID653899
Molecular FormulaC6H8N8OS
Molecular Weight240.25 g/mol
Exact Mass240.05
IUPAC NameN-(2-methyltetrazol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCn1nnc(NC(=O)CSc2ncn[nH]2)n1
InChIInChI=1S/C6H8N8OS/c1-14-12-5(10-13-14)9-4(15)2-16-6-7-3-8-11-6/h3H,2H2,1H3,(H,7,8,11)(H,9,12,15)
InChIKeyCJFGBXMXPYURQX-UHFFFAOYSA-N
XLogP-0.94
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyltetrazol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(2-methyltetrazol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 653899) is N-(2-methyltetrazol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-methyltetrazol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-methyltetrazol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is Cn1nnc(NC(=O)CSc2ncn[nH]2)n1.
What is the InChIKey of N-(2-methyltetrazol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is CJFGBXMXPYURQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N8OS/c1-14-12-5(10-13-14)9-4(15)2-16-6-7-3-8-11-6/h3H,2H2,1H3,(H,7,8,11)(H,9,12,15).
What are the key properties of N-(2-methyltetrazol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(2-methyltetrazol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 240.25 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyltetrazol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 653899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).