1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene

C9H9N3 — CID 104573617

IUPAC1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESc1cn2c3c(nc2cn1)CCC3
InChIInChI=1S/C9H9N3/c1-2-7-8(3-1)12-5-4-10-6-9(12)11-7/h4-6H,1-3H2
InChIKeyQXGXBBPWZYWZII-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.22
Rot. Bonds

About 1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene

1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 104573617) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID104573617
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESc1cn2c3c(nc2cn1)CCC3
InChIInChI=1S/C9H9N3/c1-2-7-8(3-1)12-5-4-10-6-9(12)11-7/h4-6H,1-3H2
InChIKeyQXGXBBPWZYWZII-UHFFFAOYSA-N
XLogP1.22
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 104573617) is 1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene is c1cn2c3c(nc2cn1)CCC3.
What is the InChIKey of 1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is QXGXBBPWZYWZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-2-7-8(3-1)12-5-4-10-6-9(12)11-7/h4-6H,1-3H2.
What are the key properties of 1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 159.19 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 104573617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).