5-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene

C8H9N3O — CID 96736355

IUPAC5-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene
SMILESc1cc2c(nc3n2CCNC3)o1
InChIInChI=1S/C8H9N3O/c1-4-12-8-6(1)11-3-2-9-5-7(11)10-8/h1,4,9H,2-3,5H2
InChIKeyZSVQIQCTIQOOJI-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.73
Rot. Bonds

About 5-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene

5-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene (PubChem CID 96736355) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene.

Molecular Properties

Compound Name5-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene
PubChem CID96736355
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name5-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene
SMILESc1cc2c(nc3n2CCNC3)o1
InChIInChI=1S/C8H9N3O/c1-4-12-8-6(1)11-3-2-9-5-7(11)10-8/h1,4,9H,2-3,5H2
InChIKeyZSVQIQCTIQOOJI-UHFFFAOYSA-N
XLogP0.73
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene with MolForge

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Related Compounds

6-Fluoro-1,2-dimethylfuro[2,3-d]imidazole
CID 164760672
10-Methyl-5-(trifluoromethyl)-3-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene
CID 167173248
10-Propan-2-yl-5-(trifluoromethyl)-3-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene
CID 167173880
5-(Trifluoromethyl)-3-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9-tetraene
CID 176134788
3-Propoxy-1-[5-(trifluoromethyl)-3-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-trien-10-yl]propan-1-one
CID 176135376
1H-furo[2,3-d]imidazole
CID 19385647
1-Methylfuro[2,3-d]imidazole
CID 58303206
3-Methylfuro[2,3-d]imidazole
CID 58303226
2-methoxy-1H-furo[2,3-d]imidazole
CID 69288252
(1-Methylfuro[2,3-d]imidazol-2-yl)methanol
CID 69288269
1-Methylfuro[2,3-d]imidazol-5-amine
CID 69288310
2-N-ethyl-1H-furo[2,3-d]imidazole-2,5-diamine
CID 69288321

Frequently Asked Questions

What is the IUPAC name of 5-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene?
The IUPAC name of 5-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene (CID 96736355) is 5-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene.
What is the SMILES notation for 5-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene?
The canonical SMILES for 5-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene is c1cc2c(nc3n2CCNC3)o1.
What is the InChIKey of 5-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene?
The InChIKey is ZSVQIQCTIQOOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-4-12-8-6(1)11-3-2-9-5-7(11)10-8/h1,4,9H,2-3,5H2.
What are the key properties of 5-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene?
5-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene has a molecular weight of 163.18 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene is sourced from PubChem (CID 96736355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).