4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene

C11H13N3 — CID 162388606

IUPAC4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene
SMILESc1ncc2c3c([nH]c2n1)CCCCC3
InChIInChI=1S/C11H13N3/c1-2-4-8-9-6-12-7-13-11(9)14-10(8)5-3-1/h6-7H,1-5H2,(H,12,13,14)
InChIKeyQDJYCGCTGCHVPK-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.23
Rot. Bonds

About 4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene

4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene (PubChem CID 162388606) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene.

Molecular Properties

Compound Name4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene
PubChem CID162388606
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene
SMILESc1ncc2c3c([nH]c2n1)CCCCC3
InChIInChI=1S/C11H13N3/c1-2-4-8-9-6-12-7-13-11(9)14-10(8)5-3-1/h6-7H,1-5H2,(H,12,13,14)
InChIKeyQDJYCGCTGCHVPK-UHFFFAOYSA-N
XLogP2.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene?
The IUPAC name of 4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene (CID 162388606) is 4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene.
What is the SMILES notation for 4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene?
The canonical SMILES for 4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene is c1ncc2c3c([nH]c2n1)CCCCC3.
What is the InChIKey of 4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene?
The InChIKey is QDJYCGCTGCHVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-4-8-9-6-12-7-13-11(9)14-10(8)5-3-1/h6-7H,1-5H2,(H,12,13,14).
What are the key properties of 4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene?
4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene has a molecular weight of 187.25 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene is sourced from PubChem (CID 162388606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).