ethyl 2-amino-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-8-carboxylate

C8H12N4O3 — CID 131346175

IUPACethyl 2-amino-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-8-carboxylate
SMILESCCOC(=O)C1OCCn2nc(N)nc21
InChIInChI=1S/C8H12N4O3/c1-2-14-7(13)5-6-10-8(9)11-12(6)3-4-15-5/h5H,2-4H2,1H3,(H2,9,11)
InChIKeyMZIKZWXRMXYITQ-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.51
Rot. Bonds2

About ethyl 2-amino-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-8-carboxylate

ethyl 2-amino-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-8-carboxylate (PubChem CID 131346175) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is ethyl 2-amino-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-8-carboxylate
PubChem CID131346175
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Nameethyl 2-amino-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-8-carboxylate
SMILESCCOC(=O)C1OCCn2nc(N)nc21
InChIInChI=1S/C8H12N4O3/c1-2-14-7(13)5-6-10-8(9)11-12(6)3-4-15-5/h5H,2-4H2,1H3,(H2,9,11)
InChIKeyMZIKZWXRMXYITQ-UHFFFAOYSA-N
XLogP-0.51
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-amino-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-8-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-8-carboxylate?
The IUPAC name of ethyl 2-amino-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-8-carboxylate (CID 131346175) is ethyl 2-amino-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-8-carboxylate.
What is the SMILES notation for ethyl 2-amino-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-8-carboxylate?
The canonical SMILES for ethyl 2-amino-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-8-carboxylate is CCOC(=O)C1OCCn2nc(N)nc21.
What is the InChIKey of ethyl 2-amino-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-8-carboxylate?
The InChIKey is MZIKZWXRMXYITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-2-14-7(13)5-6-10-8(9)11-12(6)3-4-15-5/h5H,2-4H2,1H3,(H2,9,11).
What are the key properties of ethyl 2-amino-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-8-carboxylate?
ethyl 2-amino-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-8-carboxylate has a molecular weight of 212.21 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine-8-carboxylate is sourced from PubChem (CID 131346175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).