1,12,19-trimethyl-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-3,5,7,9,13,15,17-heptaene

C19H19N3 — CID 15669400

IUPAC1,12,19-trimethyl-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-3,5,7,9,13,15,17-heptaene
SMILESCN1c2ccccc2C2(C)Cc3nc4ccccc4n3C12C
InChIInChI=1S/C19H19N3/c1-18-12-17-20-14-9-5-7-11-16(14)22(17)19(18,2)21(3)15-10-6-4-8-13(15)18/h4-11H,12H2,1-3H3
InChIKeyBVCHCEHZFIPIAN-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.67
Rot. Bonds

About 1,12,19-trimethyl-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-3,5,7,9,13,15,17-heptaene

1,12,19-trimethyl-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-3,5,7,9,13,15,17-heptaene (PubChem CID 15669400) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1,12,19-trimethyl-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-3,5,7,9,13,15,17-heptaene.

Molecular Properties

Compound Name1,12,19-trimethyl-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-3,5,7,9,13,15,17-heptaene
PubChem CID15669400
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name1,12,19-trimethyl-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-3,5,7,9,13,15,17-heptaene
SMILESCN1c2ccccc2C2(C)Cc3nc4ccccc4n3C12C
InChIInChI=1S/C19H19N3/c1-18-12-17-20-14-9-5-7-11-16(14)22(17)19(18,2)21(3)15-10-6-4-8-13(15)18/h4-11H,12H2,1-3H3
InChIKeyBVCHCEHZFIPIAN-UHFFFAOYSA-N
XLogP3.67
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,12,19-trimethyl-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-3,5,7,9,13,15,17-heptaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,12,19-trimethyl-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-3,5,7,9,13,15,17-heptaene?
The IUPAC name of 1,12,19-trimethyl-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-3,5,7,9,13,15,17-heptaene (CID 15669400) is 1,12,19-trimethyl-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-3,5,7,9,13,15,17-heptaene.
What is the SMILES notation for 1,12,19-trimethyl-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-3,5,7,9,13,15,17-heptaene?
The canonical SMILES for 1,12,19-trimethyl-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-3,5,7,9,13,15,17-heptaene is CN1c2ccccc2C2(C)Cc3nc4ccccc4n3C12C.
What is the InChIKey of 1,12,19-trimethyl-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-3,5,7,9,13,15,17-heptaene?
The InChIKey is BVCHCEHZFIPIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-18-12-17-20-14-9-5-7-11-16(14)22(17)19(18,2)21(3)15-10-6-4-8-13(15)18/h4-11H,12H2,1-3H3.
What are the key properties of 1,12,19-trimethyl-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-3,5,7,9,13,15,17-heptaene?
1,12,19-trimethyl-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-3,5,7,9,13,15,17-heptaene has a molecular weight of 289.38 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12,19-trimethyl-2,9,19-triazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-3,5,7,9,13,15,17-heptaene is sourced from PubChem (CID 15669400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).