10,13-dimethyl-2,5,7-triaza-10-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,8,10,12,14-hexaene

C14H15N4+ — CID 166010748

IUPAC10,13-dimethyl-2,5,7-triaza-10-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,8,10,12,14-hexaene
SMILESCc1cccc2c1-c1n(cc[n+]1C)C1=NCCN12
InChIInChI=1S/C14H15N4/c1-10-4-3-5-11-12(10)13-16(2)8-9-18(13)14-15-6-7-17(11)14/h3-5,8-9H,6-7H2,1-2H3/q+1
InChIKeyCZQASAMTIQSKFT-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.33
Rot. Bonds

About 10,13-dimethyl-2,5,7-triaza-10-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,8,10,12,14-hexaene

10,13-dimethyl-2,5,7-triaza-10-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,8,10,12,14-hexaene (PubChem CID 166010748) has the molecular formula C14H15N4+ and a molecular weight of 239.30 g/mol. Its IUPAC name is 10,13-dimethyl-2,5,7-triaza-10-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,8,10,12,14-hexaene.

Molecular Properties

Compound Name10,13-dimethyl-2,5,7-triaza-10-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,8,10,12,14-hexaene
PubChem CID166010748
Molecular FormulaC14H15N4+
Molecular Weight239.30 g/mol
Exact Mass239.13
IUPAC Name10,13-dimethyl-2,5,7-triaza-10-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,8,10,12,14-hexaene
SMILESCc1cccc2c1-c1n(cc[n+]1C)C1=NCCN12
InChIInChI=1S/C14H15N4/c1-10-4-3-5-11-12(10)13-16(2)8-9-18(13)14-15-6-7-17(11)14/h3-5,8-9H,6-7H2,1-2H3/q+1
InChIKeyCZQASAMTIQSKFT-UHFFFAOYSA-N
XLogP1.33
TPSA24.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-butan-2-yl-1,2-dihydroimidazo[1,2-a]benzimidazole
CID 3613652
1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium
CID 58240311
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Frequently Asked Questions

What is the IUPAC name of 10,13-dimethyl-2,5,7-triaza-10-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,8,10,12,14-hexaene?
The IUPAC name of 10,13-dimethyl-2,5,7-triaza-10-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,8,10,12,14-hexaene (CID 166010748) is 10,13-dimethyl-2,5,7-triaza-10-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,8,10,12,14-hexaene.
What is the SMILES notation for 10,13-dimethyl-2,5,7-triaza-10-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,8,10,12,14-hexaene?
The canonical SMILES for 10,13-dimethyl-2,5,7-triaza-10-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,8,10,12,14-hexaene is Cc1cccc2c1-c1n(cc[n+]1C)C1=NCCN12.
What is the InChIKey of 10,13-dimethyl-2,5,7-triaza-10-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,8,10,12,14-hexaene?
The InChIKey is CZQASAMTIQSKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N4/c1-10-4-3-5-11-12(10)13-16(2)8-9-18(13)14-15-6-7-17(11)14/h3-5,8-9H,6-7H2,1-2H3/q+1.
What are the key properties of 10,13-dimethyl-2,5,7-triaza-10-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,8,10,12,14-hexaene?
10,13-dimethyl-2,5,7-triaza-10-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,8,10,12,14-hexaene has a molecular weight of 239.30 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,13-dimethyl-2,5,7-triaza-10-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,8,10,12,14-hexaene is sourced from PubChem (CID 166010748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).