2,4,5,6-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene

C10H6N4 — CID 140585728

IUPAC2,4,5,6-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene
SMILESc1ccc2cc3nnnc3nc2cc1
InChIInChI=1S/C10H6N4/c1-2-4-7-6-9-10(13-14-12-9)11-8(7)5-3-1/h1-6H
InChIKeySMIMTALPEUKJGI-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.57
Rot. Bonds

About 2,4,5,6-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene

2,4,5,6-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene (PubChem CID 140585728) has the molecular formula C10H6N4 and a molecular weight of 182.19 g/mol. Its IUPAC name is 2,4,5,6-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name2,4,5,6-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene
PubChem CID140585728
Molecular FormulaC10H6N4
Molecular Weight182.19 g/mol
Exact Mass182.06
IUPAC Name2,4,5,6-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene
SMILESc1ccc2cc3nnnc3nc2cc1
InChIInChI=1S/C10H6N4/c1-2-4-7-6-9-10(13-14-12-9)11-8(7)5-3-1/h1-6H
InChIKeySMIMTALPEUKJGI-UHFFFAOYSA-N
XLogP1.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,6-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene?
The IUPAC name of 2,4,5,6-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene (CID 140585728) is 2,4,5,6-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene.
What is the SMILES notation for 2,4,5,6-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene?
The canonical SMILES for 2,4,5,6-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene is c1ccc2cc3nnnc3nc2cc1.
What is the InChIKey of 2,4,5,6-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene?
The InChIKey is SMIMTALPEUKJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4/c1-2-4-7-6-9-10(13-14-12-9)11-8(7)5-3-1/h1-6H.
What are the key properties of 2,4,5,6-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene?
2,4,5,6-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene has a molecular weight of 182.19 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 140585728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).