1,5,6,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene

C6H4N6 — CID 119098597

IUPAC1,5,6,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
SMILESc1cc2n(ccc3nnnn32)n1
InChIInChI=1S/C6H4N6/c1-3-7-11-4-2-5-8-9-10-12(5)6(1)11/h1-4H
InChIKeyAMRJRVRHHLJFAJ-UHFFFAOYSA-N
MW160.14 g/mol
LogP-0.23
Rot. Bonds

About 1,5,6,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene

1,5,6,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene (PubChem CID 119098597) has the molecular formula C6H4N6 and a molecular weight of 160.14 g/mol. Its IUPAC name is 1,5,6,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene.

Molecular Properties

Compound Name1,5,6,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
PubChem CID119098597
Molecular FormulaC6H4N6
Molecular Weight160.14 g/mol
Exact Mass160.05
IUPAC Name1,5,6,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
SMILESc1cc2n(ccc3nnnn32)n1
InChIInChI=1S/C6H4N6/c1-3-7-11-4-2-5-8-9-10-12(5)6(1)11/h1-4H
InChIKeyAMRJRVRHHLJFAJ-UHFFFAOYSA-N
XLogP-0.23
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,5,6,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene with MolForge

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Related Compounds

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CID 548600
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CID 19831989
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CID 19108230
tetrazolo[1,5-a]pyridine-5-carboximidamide
CID 83873084
3-iodo-[1,2,4]triazolo[4,3-b]pyridazine
CID 83382808
tetrazolo[1,5-a]quinoline-9-carbaldehyde
CID 96621179
3-amino-3-(tetrazolo[1,5-a]pyridin-5-yl)propan-1-ol
CID 83830313
3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 89233361
5-imidazol-1-yltetrazolo[1,5-a]pyrazine
CID 63811479
pyrazolo[1,5-a]pyrimidin-5-olate
CID 51386982
tetrazolo[1,5-a]pyridine-7-carboxamide
CID 140609958
[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
CID 12606980

Frequently Asked Questions

What is the IUPAC name of 1,5,6,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
The IUPAC name of 1,5,6,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene (CID 119098597) is 1,5,6,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene.
What is the SMILES notation for 1,5,6,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
The canonical SMILES for 1,5,6,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene is c1cc2n(ccc3nnnn32)n1.
What is the InChIKey of 1,5,6,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
The InChIKey is AMRJRVRHHLJFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N6/c1-3-7-11-4-2-5-8-9-10-12(5)6(1)11/h1-4H.
What are the key properties of 1,5,6,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
1,5,6,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene has a molecular weight of 160.14 g/mol, XLogP of -0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,10,11,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene is sourced from PubChem (CID 119098597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).