1,2,3,5,10,12-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene

C6H4N6 — CID 119098752

IUPAC1,2,3,5,10,12-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene
SMILESc1nc2ccc3ncnn3n2n1
InChIInChI=1S/C6H4N6/c1-2-6-8-4-10-12(6)11-5(1)7-3-9-11/h1-4H
InChIKeyOYIWYSZHPROQSK-UHFFFAOYSA-N
MW160.14 g/mol
LogP-0.23
Rot. Bonds

About 1,2,3,5,10,12-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene

1,2,3,5,10,12-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene (PubChem CID 119098752) has the molecular formula C6H4N6 and a molecular weight of 160.14 g/mol. Its IUPAC name is 1,2,3,5,10,12-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene.

Molecular Properties

Compound Name1,2,3,5,10,12-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene
PubChem CID119098752
Molecular FormulaC6H4N6
Molecular Weight160.14 g/mol
Exact Mass160.05
IUPAC Name1,2,3,5,10,12-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene
SMILESc1nc2ccc3ncnn3n2n1
InChIInChI=1S/C6H4N6/c1-2-6-8-4-10-12(6)11-5(1)7-3-9-11/h1-4H
InChIKeyOYIWYSZHPROQSK-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 1,2,3,5,10,12-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene with MolForge

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Related Compounds

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CID 67418560
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CID 67418561
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CID 130434098
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CID 142875440
3-Chloro-12-methyl-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene
CID 12583727
1,3,5,6,10,12-Hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 12603845
7-Methyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 15618573
3-Bromo-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene
CID 112482085

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,10,12-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene?
The IUPAC name of 1,2,3,5,10,12-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene (CID 119098752) is 1,2,3,5,10,12-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene.
What is the SMILES notation for 1,2,3,5,10,12-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene?
The canonical SMILES for 1,2,3,5,10,12-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene is c1nc2ccc3ncnn3n2n1.
What is the InChIKey of 1,2,3,5,10,12-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene?
The InChIKey is OYIWYSZHPROQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N6/c1-2-6-8-4-10-12(6)11-5(1)7-3-9-11/h1-4H.
What are the key properties of 1,2,3,5,10,12-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene?
1,2,3,5,10,12-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-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 1,2,3,5,10,12-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene is sourced from PubChem (CID 119098752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).