2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylsulfanylethyl)acetamide

C9H17N5OS — CID 112658923

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylsulfanylethyl)acetamide
SMILESCSCCN(C)C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C9H17N5OS/c1-13(3-4-16-2)9(15)7-14-6-8(5-10)11-12-14/h6H,3-5,7,10H2,1-2H3
InChIKeyIHYVSXRGSALAPV-UHFFFAOYSA-N
MW243.34 g/mol
LogP-0.44
Rot. Bonds6

About 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylsulfanylethyl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylsulfanylethyl)acetamide (PubChem CID 112658923) has the molecular formula C9H17N5OS and a molecular weight of 243.34 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylsulfanylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylsulfanylethyl)acetamide
PubChem CID112658923
Molecular FormulaC9H17N5OS
Molecular Weight243.34 g/mol
Exact Mass243.12
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylsulfanylethyl)acetamide
SMILESCSCCN(C)C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C9H17N5OS/c1-13(3-4-16-2)9(15)7-14-6-8(5-10)11-12-14/h6H,3-5,7,10H2,1-2H3
InChIKeyIHYVSXRGSALAPV-UHFFFAOYSA-N
XLogP-0.44
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylsulfanylethyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylsulfanylethyl)acetamide (CID 112658923) is 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylsulfanylethyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylsulfanylethyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylsulfanylethyl)acetamide is CSCCN(C)C(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylsulfanylethyl)acetamide?
The InChIKey is IHYVSXRGSALAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5OS/c1-13(3-4-16-2)9(15)7-14-6-8(5-10)11-12-14/h6H,3-5,7,10H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylsulfanylethyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylsulfanylethyl)acetamide has a molecular weight of 243.34 g/mol, XLogP of -0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2-methylsulfanylethyl)acetamide is sourced from PubChem (CID 112658923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).