6-methyl-4,6,12-triazatetracyclo[7.5.0.03,7.010,14]tetradeca-1,3(7),4,8-tetraene

C12H13N3 — CID 68645865

IUPAC6-methyl-4,6,12-triazatetracyclo[7.5.0.03,7.010,14]tetradeca-1,3(7),4,8-tetraene
SMILESCn1cnc2cc3c(cc21)C1CNCC31
InChIInChI=1S/C12H13N3/c1-15-6-14-11-2-7-8(3-12(11)15)10-5-13-4-9(7)10/h2-3,6,9-10,13H,4-5H2,1H3
InChIKeyRPVJVLPVGRPDGY-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.36
Rot. Bonds

About 6-methyl-4,6,12-triazatetracyclo[7.5.0.03,7.010,14]tetradeca-1,3(7),4,8-tetraene

6-methyl-4,6,12-triazatetracyclo[7.5.0.03,7.010,14]tetradeca-1,3(7),4,8-tetraene (PubChem CID 68645865) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 6-methyl-4,6,12-triazatetracyclo[7.5.0.03,7.010,14]tetradeca-1,3(7),4,8-tetraene.

Molecular Properties

Compound Name6-methyl-4,6,12-triazatetracyclo[7.5.0.03,7.010,14]tetradeca-1,3(7),4,8-tetraene
PubChem CID68645865
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name6-methyl-4,6,12-triazatetracyclo[7.5.0.03,7.010,14]tetradeca-1,3(7),4,8-tetraene
SMILESCn1cnc2cc3c(cc21)C1CNCC31
InChIInChI=1S/C12H13N3/c1-15-6-14-11-2-7-8(3-12(11)15)10-5-13-4-9(7)10/h2-3,6,9-10,13H,4-5H2,1H3
InChIKeyRPVJVLPVGRPDGY-UHFFFAOYSA-N
XLogP1.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,6,12-triazatetracyclo[7.5.0.03,7.010,14]tetradeca-1,3(7),4,8-tetraene?
The IUPAC name of 6-methyl-4,6,12-triazatetracyclo[7.5.0.03,7.010,14]tetradeca-1,3(7),4,8-tetraene (CID 68645865) is 6-methyl-4,6,12-triazatetracyclo[7.5.0.03,7.010,14]tetradeca-1,3(7),4,8-tetraene.
What is the SMILES notation for 6-methyl-4,6,12-triazatetracyclo[7.5.0.03,7.010,14]tetradeca-1,3(7),4,8-tetraene?
The canonical SMILES for 6-methyl-4,6,12-triazatetracyclo[7.5.0.03,7.010,14]tetradeca-1,3(7),4,8-tetraene is Cn1cnc2cc3c(cc21)C1CNCC31.
What is the InChIKey of 6-methyl-4,6,12-triazatetracyclo[7.5.0.03,7.010,14]tetradeca-1,3(7),4,8-tetraene?
The InChIKey is RPVJVLPVGRPDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-15-6-14-11-2-7-8(3-12(11)15)10-5-13-4-9(7)10/h2-3,6,9-10,13H,4-5H2,1H3.
What are the key properties of 6-methyl-4,6,12-triazatetracyclo[7.5.0.03,7.010,14]tetradeca-1,3(7),4,8-tetraene?
6-methyl-4,6,12-triazatetracyclo[7.5.0.03,7.010,14]tetradeca-1,3(7),4,8-tetraene has a molecular weight of 199.26 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,6,12-triazatetracyclo[7.5.0.03,7.010,14]tetradeca-1,3(7),4,8-tetraene is sourced from PubChem (CID 68645865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).