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

C6H6N8 — CID 124907743

IUPAC1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-7-ylhydrazine
SMILESNNc1cc2nncn2c2ncnn12
InChIInChI=1S/C6H6N8/c7-11-4-1-5-12-9-3-13(5)6-8-2-10-14(4)6/h1-3,11H,7H2
InChIKeyFKTPESIVZYHAHM-UHFFFAOYSA-N
MW190.17 g/mol
LogP-0.94
Rot. Bonds1

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

1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-7-ylhydrazine (PubChem CID 124907743) has the molecular formula C6H6N8 and a molecular weight of 190.17 g/mol. Its IUPAC name is 1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-7-ylhydrazine.

Molecular Properties

Compound Name1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-7-ylhydrazine
PubChem CID124907743
Molecular FormulaC6H6N8
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-7-ylhydrazine
SMILESNNc1cc2nncn2c2ncnn12
InChIInChI=1S/C6H6N8/c7-11-4-1-5-12-9-3-13(5)6-8-2-10-14(4)6/h1-3,11H,7H2
InChIKeyFKTPESIVZYHAHM-UHFFFAOYSA-N
XLogP-0.94
TPSA98.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,3,4,6,10,11-Hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 338139
7-Chloro-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 124908977

Frequently Asked Questions

What is the IUPAC name of 1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-7-ylhydrazine?
The IUPAC name of 1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-7-ylhydrazine (CID 124907743) is 1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-7-ylhydrazine.
What is the SMILES notation for 1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-7-ylhydrazine?
The canonical SMILES for 1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-7-ylhydrazine is NNc1cc2nncn2c2ncnn12.
What is the InChIKey of 1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-7-ylhydrazine?
The InChIKey is FKTPESIVZYHAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N8/c7-11-4-1-5-12-9-3-13(5)6-8-2-10-14(4)6/h1-3,11H,7H2.
What are the key properties of 1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-7-ylhydrazine?
1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-7-ylhydrazine has a molecular weight of 190.17 g/mol, XLogP of -0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-7-ylhydrazine is sourced from PubChem (CID 124907743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).