10-methyl-5-(trifluoromethyl)-3-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene

C10H10F3N3O — CID 167173248

IUPAC10-methyl-5-(trifluoromethyl)-3-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene
SMILESCN1CCn2c(nc3c(C(F)(F)F)coc32)C1
InChIInChI=1S/C10H10F3N3O/c1-15-2-3-16-7(4-15)14-8-6(10(11,12)13)5-17-9(8)16/h5H,2-4H2,1H3
InChIKeyYCXOUIWOTNKBDM-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.09
Rot. Bonds

About 10-methyl-5-(trifluoromethyl)-3-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene

10-methyl-5-(trifluoromethyl)-3-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene (PubChem CID 167173248) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 10-methyl-5-(trifluoromethyl)-3-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene.

Molecular Properties

Compound Name10-methyl-5-(trifluoromethyl)-3-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene
PubChem CID167173248
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name10-methyl-5-(trifluoromethyl)-3-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene
SMILESCN1CCn2c(nc3c(C(F)(F)F)coc32)C1
InChIInChI=1S/C10H10F3N3O/c1-15-2-3-16-7(4-15)14-8-6(10(11,12)13)5-17-9(8)16/h5H,2-4H2,1H3
InChIKeyYCXOUIWOTNKBDM-UHFFFAOYSA-N
XLogP2.09
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Fluoro-1,2-dimethylfuro[2,3-d]imidazole
CID 164760672
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
(1-Methylfuro[2,3-d]imidazol-2-yl)methanol
CID 69288269
1,6-Dimethylfuro[2,3-d]imidazole
CID 69288372
1,2-Dimethylfuro[2,3-d]imidazole
CID 69289758
2-Tert-butyl-3-methylfuro[2,3-d]imidazole
CID 89831156
3-Oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene
CID 96736354
5-Oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene
CID 96736355
10-Iodo-5-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene
CID 129261867
10-Iodo-4-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2,5,7-triene
CID 129261870

Frequently Asked Questions

What is the IUPAC name of 10-methyl-5-(trifluoromethyl)-3-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene?
The IUPAC name of 10-methyl-5-(trifluoromethyl)-3-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene (CID 167173248) is 10-methyl-5-(trifluoromethyl)-3-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene.
What is the SMILES notation for 10-methyl-5-(trifluoromethyl)-3-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene?
The canonical SMILES for 10-methyl-5-(trifluoromethyl)-3-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene is CN1CCn2c(nc3c(C(F)(F)F)coc32)C1.
What is the InChIKey of 10-methyl-5-(trifluoromethyl)-3-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene?
The InChIKey is YCXOUIWOTNKBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c1-15-2-3-16-7(4-15)14-8-6(10(11,12)13)5-17-9(8)16/h5H,2-4H2,1H3.
What are the key properties of 10-methyl-5-(trifluoromethyl)-3-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene?
10-methyl-5-(trifluoromethyl)-3-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene has a molecular weight of 245.20 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-5-(trifluoromethyl)-3-oxa-1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7-triene is sourced from PubChem (CID 167173248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).