4-(4-fluorophenyl)-11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C15H11FN4O — CID 20899675

IUPAC4-(4-fluorophenyl)-11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1oc2ncn3nc(-c4ccc(F)cc4)nc3c2c1C
InChIInChI=1S/C15H11FN4O/c1-8-9(2)21-15-12(8)14-18-13(19-20(14)7-17-15)10-3-5-11(16)6-4-10/h3-7H,1-2H3
InChIKeyIAZVJLXZVCLCEL-UHFFFAOYSA-N
MW282.28 g/mol
LogP3.29
Rot. Bonds1

About 4-(4-fluorophenyl)-11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

4-(4-fluorophenyl)-11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 20899675) has the molecular formula C15H11FN4O and a molecular weight of 282.28 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name4-(4-fluorophenyl)-11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID20899675
Molecular FormulaC15H11FN4O
Molecular Weight282.28 g/mol
Exact Mass282.09
IUPAC Name4-(4-fluorophenyl)-11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1oc2ncn3nc(-c4ccc(F)cc4)nc3c2c1C
InChIInChI=1S/C15H11FN4O/c1-8-9(2)21-15-12(8)14-18-13(19-20(14)7-17-15)10-3-5-11(16)6-4-10/h3-7H,1-2H3
InChIKeyIAZVJLXZVCLCEL-UHFFFAOYSA-N
XLogP3.29
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-fluorophenyl)-11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 4-(4-fluorophenyl)-11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 20899675) is 4-(4-fluorophenyl)-11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 4-(4-fluorophenyl)-11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 4-(4-fluorophenyl)-11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cc1oc2ncn3nc(-c4ccc(F)cc4)nc3c2c1C.
What is the InChIKey of 4-(4-fluorophenyl)-11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is IAZVJLXZVCLCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O/c1-8-9(2)21-15-12(8)14-18-13(19-20(14)7-17-15)10-3-5-11(16)6-4-10/h3-7H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
4-(4-fluorophenyl)-11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 282.28 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 20899675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).