6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene

C11H18N3+ — CID 58070786

IUPAC6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene
SMILESC1CCCc2c(nn3[n+]2CCC3)CC1
InChIInChI=1S/C11H18N3/c1-2-4-7-11-10(6-3-1)12-14-9-5-8-13(11)14/h1-9H2/q+1
InChIKeyGFQKHMHGLDDUOM-UHFFFAOYSA-N
MW192.29 g/mol
LogP1.23
Rot. Bonds

About 6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene

6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene (PubChem CID 58070786) has the molecular formula C11H18N3+ and a molecular weight of 192.29 g/mol. Its IUPAC name is 6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene.

Molecular Properties

Compound Name6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene
PubChem CID58070786
Molecular FormulaC11H18N3+
Molecular Weight192.29 g/mol
Exact Mass192.15
IUPAC Name6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene
SMILESC1CCCc2c(nn3[n+]2CCC3)CC1
InChIInChI=1S/C11H18N3/c1-2-4-7-11-10(6-3-1)12-14-9-5-8-13(11)14/h1-9H2/q+1
InChIKeyGFQKHMHGLDDUOM-UHFFFAOYSA-N
XLogP1.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

14,14-Difluoro-6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene
CID 58070784
3-Methanidyl-4,5,6,7,8,9-hexahydrocycloocta[d]triazole;yttrium
CID 134848178
7,8-Diaza-2-azoniatricyclo[7.6.0.02,7]pentadeca-1,8-diene
CID 58070779
8,9-Diaza-2-azoniatricyclo[8.6.0.02,8]hexadeca-1,9-diene
CID 58070787
5-Methyl-1,4-dipentyltriazole
CID 67229294
4-Butyl-5-methyl-1-propyltriazole
CID 69381876
5-Butyl-4-ethyl-1-propyltriazole
CID 69382165
5-Butyl-4-ethyl-1-propan-2-yltriazole
CID 69382320
1-Propan-2-yl-4,5-dipropyltriazole
CID 69382334
5-Ethyl-1-hexyl-4-propyltriazole
CID 69382347
4-Butyl-1,5-dipropyltriazole
CID 69382498
4-Butyl-1-ethyl-5-methyltriazole
CID 69382733

Frequently Asked Questions

What is the IUPAC name of 6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene?
The IUPAC name of 6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene (CID 58070786) is 6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene.
What is the SMILES notation for 6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene?
The canonical SMILES for 6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene is C1CCCc2c(nn3[n+]2CCC3)CC1.
What is the InChIKey of 6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene?
The InChIKey is GFQKHMHGLDDUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N3/c1-2-4-7-11-10(6-3-1)12-14-9-5-8-13(11)14/h1-9H2/q+1.
What are the key properties of 6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene?
6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene has a molecular weight of 192.29 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diaza-2-azoniatricyclo[6.6.0.02,6]tetradeca-1,7-diene is sourced from PubChem (CID 58070786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).