2-cyclobutylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

C10H16N4O2 — CID 106203636

IUPAC2-cyclobutylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESNc1ncn(CC(=O)OCCC2CCC2)n1
InChIInChI=1S/C10H16N4O2/c11-10-12-7-14(13-10)6-9(15)16-5-4-8-2-1-3-8/h7-8H,1-6H2,(H2,11,13)
InChIKeyRJEGVORMRJAZCO-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.59
Rot. Bonds5

About 2-cyclobutylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate

2-cyclobutylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (PubChem CID 106203636) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-cyclobutylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.

Molecular Properties

Compound Name2-cyclobutylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
PubChem CID106203636
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-cyclobutylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESNc1ncn(CC(=O)OCCC2CCC2)n1
InChIInChI=1S/C10H16N4O2/c11-10-12-7-14(13-10)6-9(15)16-5-4-8-2-1-3-8/h7-8H,1-6H2,(H2,11,13)
InChIKeyRJEGVORMRJAZCO-UHFFFAOYSA-N
XLogP0.59
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-Methylbutoxy)ethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 54956570
Hexyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61308150
Pentyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61308535
4-Methylpentan-2-yl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61308680
(2-Methylcyclohexyl) 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61308687
2-Ethylhexyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61308712
Cyclopropylmethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61308843
2-Butoxyethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61308898
Octan-2-yl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61309275
(4-Methylcyclohexyl) 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61309432
Octyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61309662
2-Methylpropyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61309832

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The IUPAC name of 2-cyclobutylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (CID 106203636) is 2-cyclobutylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.
What is the SMILES notation for 2-cyclobutylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The canonical SMILES for 2-cyclobutylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is Nc1ncn(CC(=O)OCCC2CCC2)n1.
What is the InChIKey of 2-cyclobutylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The InChIKey is RJEGVORMRJAZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-10-12-7-14(13-10)6-9(15)16-5-4-8-2-1-3-8/h7-8H,1-6H2,(H2,11,13).
What are the key properties of 2-cyclobutylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
2-cyclobutylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate has a molecular weight of 224.26 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is sourced from PubChem (CID 106203636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).