6-(3,5-difluorophenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene

C15H12F2N4 — CID 136840841

IUPAC6-(3,5-difluorophenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene
SMILESFc1cc(F)cc(C2CCNc3c4cccnc4nn32)c1
InChIInChI=1S/C15H12F2N4/c16-10-6-9(7-11(17)8-10)13-3-5-19-15-12-2-1-4-18-14(12)20-21(13)15/h1-2,4,6-8,13,19H,3,5H2
InChIKeyKQSSEIQUDBIGBZ-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.11
Rot. Bonds1

About 6-(3,5-difluorophenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene

6-(3,5-difluorophenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene (PubChem CID 136840841) has the molecular formula C15H12F2N4 and a molecular weight of 286.28 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene
PubChem CID136840841
Molecular FormulaC15H12F2N4
Molecular Weight286.28 g/mol
Exact Mass286.10
IUPAC Name6-(3,5-difluorophenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene
SMILESFc1cc(F)cc(C2CCNc3c4cccnc4nn32)c1
InChIInChI=1S/C15H12F2N4/c16-10-6-9(7-11(17)8-10)13-3-5-19-15-12-2-1-4-18-14(12)20-21(13)15/h1-2,4,6-8,13,19H,3,5H2
InChIKeyKQSSEIQUDBIGBZ-UHFFFAOYSA-N
XLogP3.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-thiophen-3-yl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene
CID 137012222
11-methyl-6-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene
CID 136840865
7-(3-fluorophenyl)-2,3-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 137011955
4-(3-fluorophenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-8-amine
CID 136841492
3-(11-methyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraen-6-yl)aniline
CID 136840867
3-(8-fluoro-1,2,3,4-tetrahydropyrimido[1,2-b]indazol-4-yl)aniline
CID 136841353
2-tert-butyl-7-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136839390
4-(2-methylphenyl)-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 136840782
7-(3-fluorophenyl)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136933815
9-methoxy-4-pyridin-2-yl-1,2,3,4-tetrahydropyrimido[1,2-b]indazole
CID 136841401
2-ethyl-3-methyl-7-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837982
2-ethyl-7-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 137012029

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene?
The IUPAC name of 6-(3,5-difluorophenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene (CID 136840841) is 6-(3,5-difluorophenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene.
What is the SMILES notation for 6-(3,5-difluorophenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene?
The canonical SMILES for 6-(3,5-difluorophenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene is Fc1cc(F)cc(C2CCNc3c4cccnc4nn32)c1.
What is the InChIKey of 6-(3,5-difluorophenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene?
The InChIKey is KQSSEIQUDBIGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4/c16-10-6-9(7-11(17)8-10)13-3-5-19-15-12-2-1-4-18-14(12)20-21(13)15/h1-2,4,6-8,13,19H,3,5H2.
What are the key properties of 6-(3,5-difluorophenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene?
6-(3,5-difluorophenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene has a molecular weight of 286.28 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,8,10,12-tetraene is sourced from PubChem (CID 136840841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).