6-methyl-1-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine

C18H18N4 — CID 24947544

IUPAC6-methyl-1-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine
SMILESCc1cccc(-c2nnc3n2-c2ccccc2C(C)CC3)n1
InChIInChI=1S/C18H18N4/c1-12-10-11-17-20-21-18(15-8-5-6-13(2)19-15)22(17)16-9-4-3-7-14(12)16/h3-9,12H,10-11H2,1-2H3
InChIKeyQQCJWSRLURODAW-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.69
Rot. Bonds1

About 6-methyl-1-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine

6-methyl-1-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine (PubChem CID 24947544) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-methyl-1-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine.

Molecular Properties

Compound Name6-methyl-1-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine
PubChem CID24947544
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name6-methyl-1-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine
SMILESCc1cccc(-c2nnc3n2-c2ccccc2C(C)CC3)n1
InChIInChI=1S/C18H18N4/c1-12-10-11-17-20-21-18(15-8-5-6-13(2)19-15)22(17)16-9-4-3-7-14(12)16/h3-9,12H,10-11H2,1-2H3
InChIKeyQQCJWSRLURODAW-UHFFFAOYSA-N
XLogP3.69
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-1-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine 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 6-methyl-1-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine?
The IUPAC name of 6-methyl-1-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine (CID 24947544) is 6-methyl-1-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine.
What is the SMILES notation for 6-methyl-1-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine?
The canonical SMILES for 6-methyl-1-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine is Cc1cccc(-c2nnc3n2-c2ccccc2C(C)CC3)n1.
What is the InChIKey of 6-methyl-1-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine?
The InChIKey is QQCJWSRLURODAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-12-10-11-17-20-21-18(15-8-5-6-13(2)19-15)22(17)16-9-4-3-7-14(12)16/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 6-methyl-1-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine?
6-methyl-1-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine has a molecular weight of 290.37 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepine is sourced from PubChem (CID 24947544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).