4,10,13-triazatricyclo[6.5.0.02,5]trideca-1(13),2,5,7,9,11-hexaene

C10H7N3 — CID 70631747

IUPAC4,10,13-triazatricyclo[6.5.0.02,5]trideca-1(13),2,5,7,9,11-hexaene
SMILESc1cnc2c(ccc3[nH]cc32)cn1
InChIInChI=1S/C10H7N3/c1-2-9-8(6-13-9)10-7(1)5-11-3-4-12-10/h1-6,13H
InChIKeyZFJMDNWXQUVSRB-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.11
Rot. Bonds

About 4,10,13-triazatricyclo[6.5.0.02,5]trideca-1(13),2,5,7,9,11-hexaene

4,10,13-triazatricyclo[6.5.0.02,5]trideca-1(13),2,5,7,9,11-hexaene (PubChem CID 70631747) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 4,10,13-triazatricyclo[6.5.0.02,5]trideca-1(13),2,5,7,9,11-hexaene.

Molecular Properties

Compound Name4,10,13-triazatricyclo[6.5.0.02,5]trideca-1(13),2,5,7,9,11-hexaene
PubChem CID70631747
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name4,10,13-triazatricyclo[6.5.0.02,5]trideca-1(13),2,5,7,9,11-hexaene
SMILESc1cnc2c(ccc3[nH]cc32)cn1
InChIInChI=1S/C10H7N3/c1-2-9-8(6-13-9)10-7(1)5-11-3-4-12-10/h1-6,13H
InChIKeyZFJMDNWXQUVSRB-UHFFFAOYSA-N
XLogP2.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,10,13-triazatricyclo[6.5.0.02,5]trideca-1(13),2,5,7,9,11-hexaene?
The IUPAC name of 4,10,13-triazatricyclo[6.5.0.02,5]trideca-1(13),2,5,7,9,11-hexaene (CID 70631747) is 4,10,13-triazatricyclo[6.5.0.02,5]trideca-1(13),2,5,7,9,11-hexaene.
What is the SMILES notation for 4,10,13-triazatricyclo[6.5.0.02,5]trideca-1(13),2,5,7,9,11-hexaene?
The canonical SMILES for 4,10,13-triazatricyclo[6.5.0.02,5]trideca-1(13),2,5,7,9,11-hexaene is c1cnc2c(ccc3[nH]cc32)cn1.
What is the InChIKey of 4,10,13-triazatricyclo[6.5.0.02,5]trideca-1(13),2,5,7,9,11-hexaene?
The InChIKey is ZFJMDNWXQUVSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c1-2-9-8(6-13-9)10-7(1)5-11-3-4-12-10/h1-6,13H.
What are the key properties of 4,10,13-triazatricyclo[6.5.0.02,5]trideca-1(13),2,5,7,9,11-hexaene?
4,10,13-triazatricyclo[6.5.0.02,5]trideca-1(13),2,5,7,9,11-hexaene has a molecular weight of 169.19 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10,13-triazatricyclo[6.5.0.02,5]trideca-1(13),2,5,7,9,11-hexaene is sourced from PubChem (CID 70631747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).