3-(furan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine

C9H9N3O2 — CID 3060515

IUPAC3-(furan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESc1coc(-c2nnc3n2CCOC3)c1
InChIInChI=1S/C9H9N3O2/c1-2-7(14-4-1)9-11-10-8-6-13-5-3-12(8)9/h1-2,4H,3,5-6H2
InChIKeyUUPGWDMVJYHKKP-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.07
Rot. Bonds1

About 3-(furan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine

3-(furan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (PubChem CID 3060515) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-(furan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.

Molecular Properties

Compound Name3-(furan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
PubChem CID3060515
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name3-(furan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESc1coc(-c2nnc3n2CCOC3)c1
InChIInChI=1S/C9H9N3O2/c1-2-7(14-4-1)9-11-10-8-6-13-5-3-12(8)9/h1-2,4H,3,5-6H2
InChIKeyUUPGWDMVJYHKKP-UHFFFAOYSA-N
XLogP1.07
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1,2,4)Triazolo(1,5-a)triazin-7-amine, 2-(2-furanyl)-5-phenoxy-
CID 3071852
2-(5-Furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 857112
2-(Furan-2-yl)-5-(methylthio)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 11776764
2-(Furan-2-Yl)-N~5~-[2-(4-Methylpiperazin-1-Yl)ethyl][1,2,4]triazolo[1,5-A][1,3,5]triazine-5,7-Diamine
CID 121225598
2-(4-Ethyl-5-furan-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 857603
1-Azepan-1-yl-2-(5-furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
CID 860181
3-(2-furyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 662524
4-({[4-allyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]thio}methyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 1267782
5-N-benzyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-diamine
CID 9839545
5-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 11163183
(S)-2-furan-2-yl-5-(hexahydropyrrolo[1,2-a]pyrazin-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11244278
2-Furan-2-yl-5-(4-furan-2-ylmethyl-piperazin-1-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11257094

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The IUPAC name of 3-(furan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (CID 3060515) is 3-(furan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.
What is the SMILES notation for 3-(furan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The canonical SMILES for 3-(furan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is c1coc(-c2nnc3n2CCOC3)c1.
What is the InChIKey of 3-(furan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The InChIKey is UUPGWDMVJYHKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-2-7(14-4-1)9-11-10-8-6-13-5-3-12(8)9/h1-2,4H,3,5-6H2.
What are the key properties of 3-(furan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
3-(furan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine has a molecular weight of 191.19 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is sourced from PubChem (CID 3060515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).