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

C11H19N5OS — CID 114121457

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylsulfanylcyclopentyl)acetamide
SMILESCSC1CCCC1NC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C11H19N5OS/c1-18-10-4-2-3-9(10)13-11(17)7-16-6-8(5-12)14-15-16/h6,9-10H,2-5,7,12H2,1H3,(H,13,17)
InChIKeyJFQJEVUUYWFDON-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.14
Rot. Bonds5

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

2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylsulfanylcyclopentyl)acetamide (PubChem CID 114121457) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylsulfanylcyclopentyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylsulfanylcyclopentyl)acetamide
PubChem CID114121457
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylsulfanylcyclopentyl)acetamide
SMILESCSC1CCCC1NC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C11H19N5OS/c1-18-10-4-2-3-9(10)13-11(17)7-16-6-8(5-12)14-15-16/h6,9-10H,2-5,7,12H2,1H3,(H,13,17)
InChIKeyJFQJEVUUYWFDON-UHFFFAOYSA-N
XLogP0.14
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylcyclopentyl)acetamide
CID 115459863
2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881
2-[4-(aminomethyl)triazol-1-yl]-N-(2-imidazol-1-ylcyclopentyl)acetamide
CID 115459210
2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 115459133
2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone
CID 116599888
2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 66213840
2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide
CID 115459189
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide
CID 115458990
2-[4-(aminomethyl)triazol-1-yl]-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide
CID 115460043
2-[4-(aminomethyl)triazol-1-yl]-N-[2-[cyclopentyl(methyl)amino]ethyl]acetamide
CID 115459869
2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide
CID 115460242

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylsulfanylcyclopentyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylsulfanylcyclopentyl)acetamide (CID 114121457) is 2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylsulfanylcyclopentyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylsulfanylcyclopentyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylsulfanylcyclopentyl)acetamide is CSC1CCCC1NC(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylsulfanylcyclopentyl)acetamide?
The InChIKey is JFQJEVUUYWFDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-18-10-4-2-3-9(10)13-11(17)7-16-6-8(5-12)14-15-16/h6,9-10H,2-5,7,12H2,1H3,(H,13,17).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylsulfanylcyclopentyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylsulfanylcyclopentyl)acetamide has a molecular weight of 269.37 g/mol, XLogP of 0.14, 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-(2-methylsulfanylcyclopentyl)acetamide is sourced from PubChem (CID 114121457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).