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

C13H19N7O — CID 115459210

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(2-imidazol-1-ylcyclopentyl)acetamide
SMILESNCc1cn(CC(=O)NC2CCCC2n2ccnc2)nn1
InChIInChI=1S/C13H19N7O/c14-6-10-7-20(18-17-10)8-13(21)16-11-2-1-3-12(11)19-5-4-15-9-19/h4-5,7,9,11-12H,1-3,6,8,14H2,(H,16,21)
InChIKeyOBRPXKJXHATLEM-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.16
Rot. Bonds5

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

2-[4-(aminomethyl)triazol-1-yl]-N-(2-imidazol-1-ylcyclopentyl)acetamide (PubChem CID 115459210) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(2-imidazol-1-ylcyclopentyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(2-imidazol-1-ylcyclopentyl)acetamide
PubChem CID115459210
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(2-imidazol-1-ylcyclopentyl)acetamide
SMILESNCc1cn(CC(=O)NC2CCCC2n2ccnc2)nn1
InChIInChI=1S/C13H19N7O/c14-6-10-7-20(18-17-10)8-13(21)16-11-2-1-3-12(11)19-5-4-15-9-19/h4-5,7,9,11-12H,1-3,6,8,14H2,(H,16,21)
InChIKeyOBRPXKJXHATLEM-UHFFFAOYSA-N
XLogP-0.16
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-(2-imidazol-1-ylcyclopentyl)acetamide
CID 43713486
2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylcyclopentyl)acetamide
CID 115459863
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]-N-(2-methylsulfanylcyclopentyl)acetamide
CID 114121457
N-(2-imidazol-1-ylcyclopentyl)-2-(methylamino)acetamide
CID 43713522
2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881
5-chloro-N-(2-imidazol-1-ylcyclopentyl)pentanamide
CID 43701618
2-(aminomethyl)-N-(2-imidazol-1-ylcyclopentyl)-3-methylbutanamide
CID 65229653
N-(2-imidazol-1-ylcyclopentyl)-4-(propan-2-ylamino)butanamide
CID 60851167
2-[4-(aminomethyl)triazol-1-yl]-1-cyclobutylethanone
CID 116599888
2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide
CID 115459189

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-imidazol-1-ylcyclopentyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-imidazol-1-ylcyclopentyl)acetamide (CID 115459210) is 2-[4-(aminomethyl)triazol-1-yl]-N-(2-imidazol-1-ylcyclopentyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(2-imidazol-1-ylcyclopentyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(2-imidazol-1-ylcyclopentyl)acetamide is NCc1cn(CC(=O)NC2CCCC2n2ccnc2)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-imidazol-1-ylcyclopentyl)acetamide?
The InChIKey is OBRPXKJXHATLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c14-6-10-7-20(18-17-10)8-13(21)16-11-2-1-3-12(11)19-5-4-15-9-19/h4-5,7,9,11-12H,1-3,6,8,14H2,(H,16,21).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(2-imidazol-1-ylcyclopentyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(2-imidazol-1-ylcyclopentyl)acetamide has a molecular weight of 289.34 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(2-imidazol-1-ylcyclopentyl)acetamide is sourced from PubChem (CID 115459210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).