2-[4-(aminomethyl)triazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C10H13N5OS — CID 55029616

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESNCc1cn(CC(=O)NCc2cccs2)nn1
InChIInChI=1S/C10H13N5OS/c11-4-8-6-15(14-13-8)7-10(16)12-5-9-2-1-3-17-9/h1-3,6H,4-5,7,11H2,(H,12,16)
InChIKeyFHTVEDAACIUEAO-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.11
Rot. Bonds5

About 2-[4-(aminomethyl)triazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 55029616) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID55029616
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESNCc1cn(CC(=O)NCc2cccs2)nn1
InChIInChI=1S/C10H13N5OS/c11-4-8-6-15(14-13-8)7-10(16)12-5-9-2-1-3-17-9/h1-3,6H,4-5,7,11H2,(H,12,16)
InChIKeyFHTVEDAACIUEAO-UHFFFAOYSA-N
XLogP0.11
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 55029616) is 2-[4-(aminomethyl)triazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide is NCc1cn(CC(=O)NCc2cccs2)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is FHTVEDAACIUEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c11-4-8-6-15(14-13-8)7-10(16)12-5-9-2-1-3-17-9/h1-3,6H,4-5,7,11H2,(H,12,16).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 251.31 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 55029616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).