(10R)-8,9,11-trimethyl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene

C17H19N3 — CID 166931997

IUPAC(10R)-8,9,11-trimethyl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene
SMILESCC1c2ccccc2N2c3ncccc3N(C)[C@H]2C1C
InChIInChI=1S/C17H19N3/c1-11-12(2)17-19(3)15-9-6-10-18-16(15)20(17)14-8-5-4-7-13(11)14/h4-12,17H,1-3H3/t11?,12?,17-/m1/s1
InChIKeyQCUKGDRJZDOYPA-VCMHEYGDSA-N
MW265.36 g/mol
LogP3.75
Rot. Bonds

About (10R)-8,9,11-trimethyl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene

(10R)-8,9,11-trimethyl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene (PubChem CID 166931997) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is (10R)-8,9,11-trimethyl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene.

Molecular Properties

Compound Name(10R)-8,9,11-trimethyl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene
PubChem CID166931997
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name(10R)-8,9,11-trimethyl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene
SMILESCC1c2ccccc2N2c3ncccc3N(C)[C@H]2C1C
InChIInChI=1S/C17H19N3/c1-11-12(2)17-19(3)15-9-6-10-18-16(15)20(17)14-8-5-4-7-13(11)14/h4-12,17H,1-3H3/t11?,12?,17-/m1/s1
InChIKeyQCUKGDRJZDOYPA-VCMHEYGDSA-N
XLogP3.75
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (10R)-8,9,11-trimethyl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10R)-8,9,11-trimethyl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene?
The IUPAC name of (10R)-8,9,11-trimethyl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene (CID 166931997) is (10R)-8,9,11-trimethyl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene.
What is the SMILES notation for (10R)-8,9,11-trimethyl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene?
The canonical SMILES for (10R)-8,9,11-trimethyl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene is CC1c2ccccc2N2c3ncccc3N(C)[C@H]2C1C.
What is the InChIKey of (10R)-8,9,11-trimethyl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene?
The InChIKey is QCUKGDRJZDOYPA-VCMHEYGDSA-N. The full InChI is InChI=1S/C17H19N3/c1-11-12(2)17-19(3)15-9-6-10-18-16(15)20(17)14-8-5-4-7-13(11)14/h4-12,17H,1-3H3/t11?,12?,17-/m1/s1.
What are the key properties of (10R)-8,9,11-trimethyl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene?
(10R)-8,9,11-trimethyl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene has a molecular weight of 265.36 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-8,9,11-trimethyl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene is sourced from PubChem (CID 166931997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).