ethyl 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylate

C8H11N3O3 — CID 118674753

IUPACethyl 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylate
SMILESCCOC(=O)c1nnc2n1CCOC2
InChIInChI=1S/C8H11N3O3/c1-2-14-8(12)7-10-9-6-5-13-4-3-11(6)7/h2-5H2,1H3
InChIKeyHMFRMTCMAVUMOM-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.01
Rot. Bonds2

About ethyl 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylate

ethyl 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylate (PubChem CID 118674753) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is ethyl 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylate
PubChem CID118674753
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Nameethyl 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylate
SMILESCCOC(=O)c1nnc2n1CCOC2
InChIInChI=1S/C8H11N3O3/c1-2-14-8(12)7-10-9-6-5-13-4-3-11(6)7/h2-5H2,1H3
InChIKeyHMFRMTCMAVUMOM-UHFFFAOYSA-N
XLogP-0.01
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1,5-dimethyl-1H-1,2,4-triazole-3-carboxylate
CID 63382088
ethyl 1,3-dimethyl-1H-1,2,4-triazole-5-carboxylate
CID 63356234
ethyl 5-(methoxymethyl)-1-methyl-1H-1,2,4-triazole-3-carboxylate
CID 63382492
ethyl 3-(methoxymethyl)-1-methyl-1H-1,2,4-triazole-5-carboxylate
CID 122163763
ethyl 4-cyclopropyl-5-methyl-4H-1,2,4-triazole-3-carboxylate
CID 63356106
lithium(1+) ion 2-(5H,6H,8H-(1,2,4)triazolo(3,4-c)(1,4)oxazin-3-yl)acetate
CID 137964099
lithium(1+) ion 5H,6H,8H-(1,2,4)triazolo(3,4-c)(1,4)oxazine-3-carboxylate
CID 138991496
1H-1,2,4-Triazole-5-carboxylic acid, 3-methyl-1-(1-methylethyl)-, ethyl ester
CID 58204754
ethyl 1-isopropyl-5-methyl-1 H-1,2,4-triazole-3-carboxylate
CID 159524986
ethyl 1-ethyl-5-methyl-1 H-1,2,4-triazole-3-carboxylate
CID 162787554
ethyl 1-ethyl-3-methyl-1 H-1,2,4-triazole-5-carboxylate
CID 162787555
methyl5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylatedihydrochloride
CID 165479144

Frequently Asked Questions

What is the IUPAC name of ethyl 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylate?
The IUPAC name of ethyl 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylate (CID 118674753) is ethyl 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylate.
What is the SMILES notation for ethyl 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylate?
The canonical SMILES for ethyl 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylate is CCOC(=O)c1nnc2n1CCOC2.
What is the InChIKey of ethyl 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylate?
The InChIKey is HMFRMTCMAVUMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-2-14-8(12)7-10-9-6-5-13-4-3-11(6)7/h2-5H2,1H3.
What are the key properties of ethyl 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylate?
ethyl 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylate has a molecular weight of 197.19 g/mol, XLogP of -0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine-3-carboxylate is sourced from PubChem (CID 118674753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).