1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene

C10H11N3 — CID 82411596

IUPAC1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
SMILESc1ccn2c3c(nc2c1)CNCC3
InChIInChI=1S/C10H11N3/c1-2-6-13-9-4-5-11-7-8(9)12-10(13)3-1/h1-3,6,11H,4-5,7H2
InChIKeyCHDHFHGNWMXANM-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.98
Rot. Bonds

About 1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene

1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene (PubChem CID 82411596) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene.

Molecular Properties

Compound Name1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
PubChem CID82411596
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
SMILESc1ccn2c3c(nc2c1)CNCC3
InChIInChI=1S/C10H11N3/c1-2-6-13-9-4-5-11-7-8(9)12-10(13)3-1/h1-3,6,11H,4-5,7H2
InChIKeyCHDHFHGNWMXANM-UHFFFAOYSA-N
XLogP0.98
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The IUPAC name of 1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene (CID 82411596) is 1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene.
What is the SMILES notation for 1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The canonical SMILES for 1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene is c1ccn2c3c(nc2c1)CNCC3.
What is the InChIKey of 1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
The InChIKey is CHDHFHGNWMXANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-6-13-9-4-5-11-7-8(9)12-10(13)3-1/h1-3,6,11H,4-5,7H2.
What are the key properties of 1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene?
1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene has a molecular weight of 173.22 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene is sourced from PubChem (CID 82411596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).