cyclopentyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate

C12H17N3O3 — CID 82202595

IUPACcyclopentyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate
SMILESCC(=O)c1nnn(CC(=O)OC2CCCC2)c1C
InChIInChI=1S/C12H17N3O3/c1-8-12(9(2)16)13-14-15(8)7-11(17)18-10-5-3-4-6-10/h10H,3-7H2,1-2H3
InChIKeyAXOQZTHYHURTDC-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.27
Rot. Bonds4

About cyclopentyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate

cyclopentyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate (PubChem CID 82202595) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is cyclopentyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate.

Molecular Properties

Compound Namecyclopentyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate
PubChem CID82202595
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namecyclopentyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate
SMILESCC(=O)c1nnn(CC(=O)OC2CCCC2)c1C
InChIInChI=1S/C12H17N3O3/c1-8-12(9(2)16)13-14-15(8)7-11(17)18-10-5-3-4-6-10/h10H,3-7H2,1-2H3
InChIKeyAXOQZTHYHURTDC-UHFFFAOYSA-N
XLogP1.27
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate?
The IUPAC name of cyclopentyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate (CID 82202595) is cyclopentyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate.
What is the SMILES notation for cyclopentyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate?
The canonical SMILES for cyclopentyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate is CC(=O)c1nnn(CC(=O)OC2CCCC2)c1C.
What is the InChIKey of cyclopentyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate?
The InChIKey is AXOQZTHYHURTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-12(9(2)16)13-14-15(8)7-11(17)18-10-5-3-4-6-10/h10H,3-7H2,1-2H3.
What are the key properties of cyclopentyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate?
cyclopentyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate has a molecular weight of 251.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate is sourced from PubChem (CID 82202595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).