2-[4-(aminomethyl)triazol-1-yl]-N-thiophen-3-ylacetamide

C9H11N5OS — CID 115460066

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-thiophen-3-ylacetamide
SMILESNCc1cn(CC(=O)Nc2ccsc2)nn1
InChIInChI=1S/C9H11N5OS/c10-3-8-4-14(13-12-8)5-9(15)11-7-1-2-16-6-7/h1-2,4,6H,3,5,10H2,(H,11,15)
InChIKeyARHMUFKZQSQICC-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.44
Rot. Bonds4

About 2-[4-(aminomethyl)triazol-1-yl]-N-thiophen-3-ylacetamide

2-[4-(aminomethyl)triazol-1-yl]-N-thiophen-3-ylacetamide (PubChem CID 115460066) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-thiophen-3-ylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-thiophen-3-ylacetamide
PubChem CID115460066
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-thiophen-3-ylacetamide
SMILESNCc1cn(CC(=O)Nc2ccsc2)nn1
InChIInChI=1S/C9H11N5OS/c10-3-8-4-14(13-12-8)5-9(15)11-7-1-2-16-6-7/h1-2,4,6H,3,5,10H2,(H,11,15)
InChIKeyARHMUFKZQSQICC-UHFFFAOYSA-N
XLogP0.44
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1-Thiophen-3-yltriazol-4-yl)methanamine
CID 119106442
2-[4-(aminomethyl)triazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 55029616
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55029882
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 64003983
1-(2-aminoethyl)-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
CID 65944742
N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 66192558
2-[4-(ethylaminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 66193103
2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 66194366
N-methyl-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 66194530
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 66213628
1-piperidin-4-yl-N-thiophen-3-yltriazole-4-carboxamide
CID 66349997
N-[(1-methyltriazol-4-yl)methyl]thiophen-3-amine
CID 66350590

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-thiophen-3-ylacetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-thiophen-3-ylacetamide (CID 115460066) is 2-[4-(aminomethyl)triazol-1-yl]-N-thiophen-3-ylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-thiophen-3-ylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-thiophen-3-ylacetamide is NCc1cn(CC(=O)Nc2ccsc2)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-thiophen-3-ylacetamide?
The InChIKey is ARHMUFKZQSQICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c10-3-8-4-14(13-12-8)5-9(15)11-7-1-2-16-6-7/h1-2,4,6H,3,5,10H2,(H,11,15).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-thiophen-3-ylacetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-thiophen-3-ylacetamide has a molecular weight of 237.29 g/mol, XLogP of 0.44, 4 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-3-ylacetamide is sourced from PubChem (CID 115460066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).