8-oxa-1,5,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene

C10H13N3O — CID 129276152

IUPAC8-oxa-1,5,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
SMILESc1cc2c(cn1)OCC1CNCCN21
InChIInChI=1S/C10H13N3O/c1-2-11-6-10-9(1)13-4-3-12-5-8(13)7-14-10/h1-2,6,8,12H,3-5,7H2
InChIKeyGZIRHQGHGLEZLF-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.25
Rot. Bonds

About 8-oxa-1,5,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene

8-oxa-1,5,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene (PubChem CID 129276152) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 8-oxa-1,5,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene.

Molecular Properties

Compound Name8-oxa-1,5,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
PubChem CID129276152
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name8-oxa-1,5,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
SMILESc1cc2c(cn1)OCC1CNCCN21
InChIInChI=1S/C10H13N3O/c1-2-11-6-10-9(1)13-4-3-12-5-8(13)7-14-10/h1-2,6,8,12H,3-5,7H2
InChIKeyGZIRHQGHGLEZLF-UHFFFAOYSA-N
XLogP0.25
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine
CID 18520561
(11S)-9-oxa-1,5,13-triazatricyclo[9.4.0.03,8]pentadeca-3(8),4,6-trien-2-one
CID 175854871
1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;hydrochloride
CID 18520560
(4aR)-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazin-8-amine
CID 155139792
1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazin-8-amine
CID 84620557
2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,6]naphthyridine
CID 134265703
7-fluoro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine
CID 84621059
8-nitro-1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine;hydrochloride
CID 164523347
1-cyclopropyl-2,3,4,5-tetrahydropyrido[4,3-e][1,4]diazepine
CID 105443837
5-fluoro-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
CID 167242876
(8aR)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 27282253
1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 22562207

Frequently Asked Questions

What is the IUPAC name of 8-oxa-1,5,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
The IUPAC name of 8-oxa-1,5,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene (CID 129276152) is 8-oxa-1,5,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene.
What is the SMILES notation for 8-oxa-1,5,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
The canonical SMILES for 8-oxa-1,5,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene is c1cc2c(cn1)OCC1CNCCN21.
What is the InChIKey of 8-oxa-1,5,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
The InChIKey is GZIRHQGHGLEZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-11-6-10-9(1)13-4-3-12-5-8(13)7-14-10/h1-2,6,8,12H,3-5,7H2.
What are the key properties of 8-oxa-1,5,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene?
8-oxa-1,5,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene has a molecular weight of 191.23 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-1,5,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene is sourced from PubChem (CID 129276152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).