N-[4-[2-(diethylamino)ethoxy]phenyl]-7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-3-yl-1,2,4-benzotriazin-3-amine

C33H36N6O — CID 68981817

IUPACN-[4-[2-(diethylamino)ethoxy]phenyl]-7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-3-yl-1,2,4-benzotriazin-3-amine
SMILESCCN(CC)CCOc1ccc(N(c2cccnc2)c2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)cc1
InChIInChI=1S/C33H36N6O/c1-6-38(7-2)18-19-40-29-15-13-27(14-16-29)39(28-12-9-17-34-22-28)33-35-32-25(5)20-26(21-30(32)36-37-33)31-23(3)10-8-11-24(31)4/h8-17,20-22H,6-7,18-19H2,1-5H3
InChIKeyJLMHGNBQGDGWHM-UHFFFAOYSA-N
MW532.69 g/mol
LogP7.20
Rot. Bonds10

About N-[4-[2-(diethylamino)ethoxy]phenyl]-7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-3-yl-1,2,4-benzotriazin-3-amine

N-[4-[2-(diethylamino)ethoxy]phenyl]-7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-3-yl-1,2,4-benzotriazin-3-amine (PubChem CID 68981817) has the molecular formula C33H36N6O and a molecular weight of 532.69 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethoxy]phenyl]-7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-3-yl-1,2,4-benzotriazin-3-amine.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethoxy]phenyl]-7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-3-yl-1,2,4-benzotriazin-3-amine
PubChem CID68981817
Molecular FormulaC33H36N6O
Molecular Weight532.69 g/mol
Exact Mass532.30
IUPAC NameN-[4-[2-(diethylamino)ethoxy]phenyl]-7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-3-yl-1,2,4-benzotriazin-3-amine
SMILESCCN(CC)CCOc1ccc(N(c2cccnc2)c2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)cc1
InChIInChI=1S/C33H36N6O/c1-6-38(7-2)18-19-40-29-15-13-27(14-16-29)39(28-12-9-17-34-22-28)33-35-32-25(5)20-26(21-30(32)36-37-33)31-23(3)10-8-11-24(31)4/h8-17,20-22H,6-7,18-19H2,1-5H3
InChIKeyJLMHGNBQGDGWHM-UHFFFAOYSA-N
XLogP7.20
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-(diethylamino)ethoxy]phenyl]-7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-3-yl-1,2,4-benzotriazin-3-amine 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 N-[4-[2-(diethylamino)ethoxy]phenyl]-7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-3-yl-1,2,4-benzotriazin-3-amine?
The IUPAC name of N-[4-[2-(diethylamino)ethoxy]phenyl]-7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-3-yl-1,2,4-benzotriazin-3-amine (CID 68981817) is N-[4-[2-(diethylamino)ethoxy]phenyl]-7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-3-yl-1,2,4-benzotriazin-3-amine.
What is the SMILES notation for N-[4-[2-(diethylamino)ethoxy]phenyl]-7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-3-yl-1,2,4-benzotriazin-3-amine?
The canonical SMILES for N-[4-[2-(diethylamino)ethoxy]phenyl]-7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-3-yl-1,2,4-benzotriazin-3-amine is CCN(CC)CCOc1ccc(N(c2cccnc2)c2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)cc1.
What is the InChIKey of N-[4-[2-(diethylamino)ethoxy]phenyl]-7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-3-yl-1,2,4-benzotriazin-3-amine?
The InChIKey is JLMHGNBQGDGWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N6O/c1-6-38(7-2)18-19-40-29-15-13-27(14-16-29)39(28-12-9-17-34-22-28)33-35-32-25(5)20-26(21-30(32)36-37-33)31-23(3)10-8-11-24(31)4/h8-17,20-22H,6-7,18-19H2,1-5H3.
What are the key properties of N-[4-[2-(diethylamino)ethoxy]phenyl]-7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-3-yl-1,2,4-benzotriazin-3-amine?
N-[4-[2-(diethylamino)ethoxy]phenyl]-7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-3-yl-1,2,4-benzotriazin-3-amine has a molecular weight of 532.69 g/mol, XLogP of 7.20, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethoxy]phenyl]-7-(2,6-dimethylphenyl)-5-methyl-N-pyridin-3-yl-1,2,4-benzotriazin-3-amine is sourced from PubChem (CID 68981817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).