6,7-dimethyl-5,7,13-triazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;hydrochloride

C15H20ClN3 — CID 86596193

IUPAC6,7-dimethyl-5,7,13-triazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;hydrochloride
SMILESCc1nc2cc3c(cc2n1C)C1CCC3CNC1.Cl
InChIInChI=1S/C15H19N3.ClH/c1-9-17-14-5-12-10-3-4-11(8-16-7-10)13(12)6-15(14)18(9)2;/h5-6,10-11,16H,3-4,7-8H2,1-2H3;1H
InChIKeyRPJPJGFMXFNRLS-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.87
Rot. Bonds

About 6,7-dimethyl-5,7,13-triazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;hydrochloride

6,7-dimethyl-5,7,13-triazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;hydrochloride (PubChem CID 86596193) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 6,7-dimethyl-5,7,13-triazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;hydrochloride.

Molecular Properties

Compound Name6,7-dimethyl-5,7,13-triazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;hydrochloride
PubChem CID86596193
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name6,7-dimethyl-5,7,13-triazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;hydrochloride
SMILESCc1nc2cc3c(cc2n1C)C1CCC3CNC1.Cl
InChIInChI=1S/C15H19N3.ClH/c1-9-17-14-5-12-10-3-4-11(8-16-7-10)13(12)6-15(14)18(9)2;/h5-6,10-11,16H,3-4,7-8H2,1-2H3;1H
InChIKeyRPJPJGFMXFNRLS-UHFFFAOYSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,7-dimethyl-5,7,13-triazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;hydrochloride with MolForge

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Related Compounds

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CID 58109509
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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-5,7,13-triazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;hydrochloride?
The IUPAC name of 6,7-dimethyl-5,7,13-triazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;hydrochloride (CID 86596193) is 6,7-dimethyl-5,7,13-triazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;hydrochloride.
What is the SMILES notation for 6,7-dimethyl-5,7,13-triazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;hydrochloride?
The canonical SMILES for 6,7-dimethyl-5,7,13-triazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;hydrochloride is Cc1nc2cc3c(cc2n1C)C1CCC3CNC1.Cl.
What is the InChIKey of 6,7-dimethyl-5,7,13-triazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;hydrochloride?
The InChIKey is RPJPJGFMXFNRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3.ClH/c1-9-17-14-5-12-10-3-4-11(8-16-7-10)13(12)6-15(14)18(9)2;/h5-6,10-11,16H,3-4,7-8H2,1-2H3;1H.
What are the key properties of 6,7-dimethyl-5,7,13-triazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;hydrochloride?
6,7-dimethyl-5,7,13-triazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-5,7,13-triazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;hydrochloride is sourced from PubChem (CID 86596193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).