8-methyl-5-phenyl-4,5,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,10-tetraene

C15H14N4 — CID 175894939

IUPAC8-methyl-5-phenyl-4,5,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,10-tetraene
SMILESCC1Cc2c(cnn2-c2ccccc2)-c2cncn21
InChIInChI=1S/C15H14N4/c1-11-7-14-13(15-9-16-10-18(11)15)8-17-19(14)12-5-3-2-4-6-12/h2-6,8-11H,7H2,1H3
InChIKeyUOSBGOHMELXFMT-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.85
Rot. Bonds1

About 8-methyl-5-phenyl-4,5,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,10-tetraene

8-methyl-5-phenyl-4,5,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,10-tetraene (PubChem CID 175894939) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 8-methyl-5-phenyl-4,5,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,10-tetraene.

Molecular Properties

Compound Name8-methyl-5-phenyl-4,5,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,10-tetraene
PubChem CID175894939
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name8-methyl-5-phenyl-4,5,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,10-tetraene
SMILESCC1Cc2c(cnn2-c2ccccc2)-c2cncn21
InChIInChI=1S/C15H14N4/c1-11-7-14-13(15-9-16-10-18(11)15)8-17-19(14)12-5-3-2-4-6-12/h2-6,8-11H,7H2,1H3
InChIKeyUOSBGOHMELXFMT-UHFFFAOYSA-N
XLogP2.85
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-phenyl-4,5,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,10-tetraene?
The IUPAC name of 8-methyl-5-phenyl-4,5,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,10-tetraene (CID 175894939) is 8-methyl-5-phenyl-4,5,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,10-tetraene.
What is the SMILES notation for 8-methyl-5-phenyl-4,5,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,10-tetraene?
The canonical SMILES for 8-methyl-5-phenyl-4,5,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,10-tetraene is CC1Cc2c(cnn2-c2ccccc2)-c2cncn21.
What is the InChIKey of 8-methyl-5-phenyl-4,5,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,10-tetraene?
The InChIKey is UOSBGOHMELXFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-11-7-14-13(15-9-16-10-18(11)15)8-17-19(14)12-5-3-2-4-6-12/h2-6,8-11H,7H2,1H3.
What are the key properties of 8-methyl-5-phenyl-4,5,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,10-tetraene?
8-methyl-5-phenyl-4,5,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,10-tetraene has a molecular weight of 250.31 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-phenyl-4,5,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),3,10-tetraene is sourced from PubChem (CID 175894939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).