2-methyl-10,12-diazatricyclo[11.4.0.04,9]heptadeca-1(17),4,6,8,10,11,13,15-octaene

C16H14N2 — CID 10704860

IUPAC2-methyl-10,12-diazatricyclo[11.4.0.04,9]heptadeca-1(17),4,6,8,10,11,13,15-octaene
SMILESCC1Cc2ccccc2N=C=Nc2ccccc21
InChIInChI=1S/C16H14N2/c1-12-10-13-6-2-4-8-15(13)17-11-18-16-9-5-3-7-14(12)16/h2-9,12H,10H2,1H3
InChIKeyKQAPMBIEQPFPKW-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.48
Rot. Bonds

About 2-methyl-10,12-diazatricyclo[11.4.0.04,9]heptadeca-1(17),4,6,8,10,11,13,15-octaene

2-methyl-10,12-diazatricyclo[11.4.0.04,9]heptadeca-1(17),4,6,8,10,11,13,15-octaene (PubChem CID 10704860) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-methyl-10,12-diazatricyclo[11.4.0.04,9]heptadeca-1(17),4,6,8,10,11,13,15-octaene.

Molecular Properties

Compound Name2-methyl-10,12-diazatricyclo[11.4.0.04,9]heptadeca-1(17),4,6,8,10,11,13,15-octaene
PubChem CID10704860
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name2-methyl-10,12-diazatricyclo[11.4.0.04,9]heptadeca-1(17),4,6,8,10,11,13,15-octaene
SMILESCC1Cc2ccccc2N=C=Nc2ccccc21
InChIInChI=1S/C16H14N2/c1-12-10-13-6-2-4-8-15(13)17-11-18-16-9-5-3-7-14(12)16/h2-9,12H,10H2,1H3
InChIKeyKQAPMBIEQPFPKW-UHFFFAOYSA-N
XLogP4.48
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-10,12-diazatricyclo[11.4.0.04,9]heptadeca-1(17),4,6,8,10,11,13,15-octaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-10,12-diazatricyclo[11.4.0.04,9]heptadeca-1(17),4,6,8,10,11,13,15-octaene?
The IUPAC name of 2-methyl-10,12-diazatricyclo[11.4.0.04,9]heptadeca-1(17),4,6,8,10,11,13,15-octaene (CID 10704860) is 2-methyl-10,12-diazatricyclo[11.4.0.04,9]heptadeca-1(17),4,6,8,10,11,13,15-octaene.
What is the SMILES notation for 2-methyl-10,12-diazatricyclo[11.4.0.04,9]heptadeca-1(17),4,6,8,10,11,13,15-octaene?
The canonical SMILES for 2-methyl-10,12-diazatricyclo[11.4.0.04,9]heptadeca-1(17),4,6,8,10,11,13,15-octaene is CC1Cc2ccccc2N=C=Nc2ccccc21.
What is the InChIKey of 2-methyl-10,12-diazatricyclo[11.4.0.04,9]heptadeca-1(17),4,6,8,10,11,13,15-octaene?
The InChIKey is KQAPMBIEQPFPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-12-10-13-6-2-4-8-15(13)17-11-18-16-9-5-3-7-14(12)16/h2-9,12H,10H2,1H3.
What are the key properties of 2-methyl-10,12-diazatricyclo[11.4.0.04,9]heptadeca-1(17),4,6,8,10,11,13,15-octaene?
2-methyl-10,12-diazatricyclo[11.4.0.04,9]heptadeca-1(17),4,6,8,10,11,13,15-octaene has a molecular weight of 234.30 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-10,12-diazatricyclo[11.4.0.04,9]heptadeca-1(17),4,6,8,10,11,13,15-octaene is sourced from PubChem (CID 10704860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).