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

C9H14N6O3 — CID 61317221

IUPAC2-(2-oxoimidazolidin-1-yl)ethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESNc1ncn(CC(=O)OCCN2CCNC2=O)n1
InChIInChI=1S/C9H14N6O3/c10-8-12-6-15(13-8)5-7(16)18-4-3-14-2-1-11-9(14)17/h6H,1-5H2,(H2,10,13)(H,11,17)
InChIKeyKVNMIUHJFUBBSG-UHFFFAOYSA-N
MW254.25 g/mol
LogP-1.57
Rot. Bonds5

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

2-(2-oxoimidazolidin-1-yl)ethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (PubChem CID 61317221) has the molecular formula C9H14N6O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(2-oxoimidazolidin-1-yl)ethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.

Molecular Properties

Compound Name2-(2-oxoimidazolidin-1-yl)ethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
PubChem CID61317221
Molecular FormulaC9H14N6O3
Molecular Weight254.25 g/mol
Exact Mass254.11
IUPAC Name2-(2-oxoimidazolidin-1-yl)ethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate
SMILESNc1ncn(CC(=O)OCCN2CCNC2=O)n1
InChIInChI=1S/C9H14N6O3/c10-8-12-6-15(13-8)5-7(16)18-4-3-14-2-1-11-9(14)17/h6H,1-5H2,(H2,10,13)(H,11,17)
InChIKeyKVNMIUHJFUBBSG-UHFFFAOYSA-N
XLogP-1.57
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoimidazolidin-1-yl)ethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The IUPAC name of 2-(2-oxoimidazolidin-1-yl)ethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate (CID 61317221) is 2-(2-oxoimidazolidin-1-yl)ethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate.
What is the SMILES notation for 2-(2-oxoimidazolidin-1-yl)ethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The canonical SMILES for 2-(2-oxoimidazolidin-1-yl)ethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is Nc1ncn(CC(=O)OCCN2CCNC2=O)n1.
What is the InChIKey of 2-(2-oxoimidazolidin-1-yl)ethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
The InChIKey is KVNMIUHJFUBBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O3/c10-8-12-6-15(13-8)5-7(16)18-4-3-14-2-1-11-9(14)17/h6H,1-5H2,(H2,10,13)(H,11,17).
What are the key properties of 2-(2-oxoimidazolidin-1-yl)ethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate?
2-(2-oxoimidazolidin-1-yl)ethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate has a molecular weight of 254.25 g/mol, XLogP of -1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoimidazolidin-1-yl)ethyl 2-(3-amino-1,2,4-triazol-1-yl)acetate is sourced from PubChem (CID 61317221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).