1,3,5,6,10,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene

C6H4N6 — CID 12603845

IUPAC1,3,5,6,10,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
SMILESc1nc2n(ccc3ncnn32)n1
InChIInChI=1S/C6H4N6/c1-2-11-6(8-4-9-11)12-5(1)7-3-10-12/h1-4H
InChIKeyJCNNWCHWXHRIKI-UHFFFAOYSA-N
MW160.14 g/mol
LogP-0.23
Rot. Bonds

About 1,3,5,6,10,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene

1,3,5,6,10,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene (PubChem CID 12603845) has the molecular formula C6H4N6 and a molecular weight of 160.14 g/mol. Its IUPAC name is 1,3,5,6,10,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene.

Molecular Properties

Compound Name1,3,5,6,10,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
PubChem CID12603845
Molecular FormulaC6H4N6
Molecular Weight160.14 g/mol
Exact Mass160.05
IUPAC Name1,3,5,6,10,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
SMILESc1nc2n(ccc3ncnn32)n1
InChIInChI=1S/C6H4N6/c1-2-11-6(8-4-9-11)12-5(1)7-3-10-12/h1-4H
InChIKeyJCNNWCHWXHRIKI-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 1,3,5,6,10,12-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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1,3,4,6,10,11-Hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 338139
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CID 129880152
1,3,5,6,10,11,12-Heptazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 20094933
6-ethenyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine
CID 68709462
5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 90201343
6-bromo-5H-[1,2,4]triazolo[4,3-c]pyrimidine
CID 117630031
6-bromo-5H-[1,2,4]triazolo[1,5-c]pyrimidine
CID 117729130
1,5-Bis(ethenyl)-1,2,4-triazole
CID 126685157
N-[(Z)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]methanimine
CID 132062339
3,4-Bis(ethenyl)-1,2,4-triazole
CID 139543293
1,5-Bis(ethenyl)-1,2,4-triazole;propane
CID 143195786

Frequently Asked Questions

What is the IUPAC name of 1,3,5,6,10,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
The IUPAC name of 1,3,5,6,10,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene (CID 12603845) is 1,3,5,6,10,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene.
What is the SMILES notation for 1,3,5,6,10,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
The canonical SMILES for 1,3,5,6,10,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene is c1nc2n(ccc3ncnn32)n1.
What is the InChIKey of 1,3,5,6,10,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
The InChIKey is JCNNWCHWXHRIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N6/c1-2-11-6(8-4-9-11)12-5(1)7-3-10-12/h1-4H.
What are the key properties of 1,3,5,6,10,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
1,3,5,6,10,12-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 1,3,5,6,10,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene is sourced from PubChem (CID 12603845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).