methyl 2-[cyclopentyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetate

C13H22N4O2 — CID 71917612

IUPACmethyl 2-[cyclopentyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1nnc(C)n1C)C1CCCC1
InChIInChI=1S/C13H22N4O2/c1-10-14-15-12(16(10)2)8-17(9-13(18)19-3)11-6-4-5-7-11/h11H,4-9H2,1-3H3
InChIKeyUHJIBYMLRIWBQI-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.04
Rot. Bonds5

About methyl 2-[cyclopentyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetate

methyl 2-[cyclopentyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetate (PubChem CID 71917612) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetate
PubChem CID71917612
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Namemethyl 2-[cyclopentyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1nnc(C)n1C)C1CCCC1
InChIInChI=1S/C13H22N4O2/c1-10-14-15-12(16(10)2)8-17(9-13(18)19-3)11-6-4-5-7-11/h11H,4-9H2,1-3H3
InChIKeyUHJIBYMLRIWBQI-UHFFFAOYSA-N
XLogP1.04
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetate (CID 71917612) is methyl 2-[cyclopentyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetate is COC(=O)CN(Cc1nnc(C)n1C)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetate?
The InChIKey is UHJIBYMLRIWBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10-14-15-12(16(10)2)8-17(9-13(18)19-3)11-6-4-5-7-11/h11H,4-9H2,1-3H3.
What are the key properties of methyl 2-[cyclopentyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetate?
methyl 2-[cyclopentyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetate has a molecular weight of 266.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]amino]acetate is sourced from PubChem (CID 71917612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).