10-methyl-10,16,17-triazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene

C15H17N3 — CID 167345618

IUPAC10-methyl-10,16,17-triazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene
SMILESCN1Cc2cccc(n2)CCc2cccc(n2)C1
InChIInChI=1S/C15H17N3/c1-18-10-14-6-2-4-12(16-14)8-9-13-5-3-7-15(11-18)17-13/h2-7H,8-11H2,1H3
InChIKeyOGHSPXAAZHVMCO-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.21
Rot. Bonds

About 10-methyl-10,16,17-triazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene

10-methyl-10,16,17-triazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene (PubChem CID 167345618) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 10-methyl-10,16,17-triazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene.

Molecular Properties

Compound Name10-methyl-10,16,17-triazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene
PubChem CID167345618
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name10-methyl-10,16,17-triazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene
SMILESCN1Cc2cccc(n2)CCc2cccc(n2)C1
InChIInChI=1S/C15H17N3/c1-18-10-14-6-2-4-12(16-14)8-9-13-5-3-7-15(11-18)17-13/h2-7H,8-11H2,1H3
InChIKeyOGHSPXAAZHVMCO-UHFFFAOYSA-N
XLogP2.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-10,16,17-triazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene?
The IUPAC name of 10-methyl-10,16,17-triazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene (CID 167345618) is 10-methyl-10,16,17-triazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene.
What is the SMILES notation for 10-methyl-10,16,17-triazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene?
The canonical SMILES for 10-methyl-10,16,17-triazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene is CN1Cc2cccc(n2)CCc2cccc(n2)C1.
What is the InChIKey of 10-methyl-10,16,17-triazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene?
The InChIKey is OGHSPXAAZHVMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-18-10-14-6-2-4-12(16-14)8-9-13-5-3-7-15(11-18)17-13/h2-7H,8-11H2,1H3.
What are the key properties of 10-methyl-10,16,17-triazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene?
10-methyl-10,16,17-triazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene has a molecular weight of 239.32 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-10,16,17-triazatricyclo[10.3.1.14,8]heptadeca-1(16),4(17),5,7,12,14-hexaene is sourced from PubChem (CID 167345618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).