4-[6-[4-(dimethylamino)phenyl]-3-ethoxy-1,2,4-triazin-5-yl]-N,N-dimethylaniline

C21H25N5O — CID 20549288

IUPAC4-[6-[4-(dimethylamino)phenyl]-3-ethoxy-1,2,4-triazin-5-yl]-N,N-dimethylaniline
SMILESCCOc1nnc(-c2ccc(N(C)C)cc2)c(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C21H25N5O/c1-6-27-21-22-19(15-7-11-17(12-8-15)25(2)3)20(23-24-21)16-9-13-18(14-10-16)26(4)5/h7-14H,6H2,1-5H3
InChIKeyWFJZKFDBBFBOQN-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.74
Rot. Bonds6

About 4-[6-[4-(dimethylamino)phenyl]-3-ethoxy-1,2,4-triazin-5-yl]-N,N-dimethylaniline

4-[6-[4-(dimethylamino)phenyl]-3-ethoxy-1,2,4-triazin-5-yl]-N,N-dimethylaniline (PubChem CID 20549288) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-[6-[4-(dimethylamino)phenyl]-3-ethoxy-1,2,4-triazin-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[6-[4-(dimethylamino)phenyl]-3-ethoxy-1,2,4-triazin-5-yl]-N,N-dimethylaniline
PubChem CID20549288
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-[6-[4-(dimethylamino)phenyl]-3-ethoxy-1,2,4-triazin-5-yl]-N,N-dimethylaniline
SMILESCCOc1nnc(-c2ccc(N(C)C)cc2)c(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C21H25N5O/c1-6-27-21-22-19(15-7-11-17(12-8-15)25(2)3)20(23-24-21)16-9-13-18(14-10-16)26(4)5/h7-14H,6H2,1-5H3
InChIKeyWFJZKFDBBFBOQN-UHFFFAOYSA-N
XLogP3.74
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[6-[4-(dimethylamino)phenyl]-3-ethoxy-1,2,4-triazin-5-yl]-N,N-dimethylaniline 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 4-[6-[4-(dimethylamino)phenyl]-3-ethoxy-1,2,4-triazin-5-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[6-[4-(dimethylamino)phenyl]-3-ethoxy-1,2,4-triazin-5-yl]-N,N-dimethylaniline (CID 20549288) is 4-[6-[4-(dimethylamino)phenyl]-3-ethoxy-1,2,4-triazin-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[6-[4-(dimethylamino)phenyl]-3-ethoxy-1,2,4-triazin-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[6-[4-(dimethylamino)phenyl]-3-ethoxy-1,2,4-triazin-5-yl]-N,N-dimethylaniline is CCOc1nnc(-c2ccc(N(C)C)cc2)c(-c2ccc(N(C)C)cc2)n1.
What is the InChIKey of 4-[6-[4-(dimethylamino)phenyl]-3-ethoxy-1,2,4-triazin-5-yl]-N,N-dimethylaniline?
The InChIKey is WFJZKFDBBFBOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-6-27-21-22-19(15-7-11-17(12-8-15)25(2)3)20(23-24-21)16-9-13-18(14-10-16)26(4)5/h7-14H,6H2,1-5H3.
What are the key properties of 4-[6-[4-(dimethylamino)phenyl]-3-ethoxy-1,2,4-triazin-5-yl]-N,N-dimethylaniline?
4-[6-[4-(dimethylamino)phenyl]-3-ethoxy-1,2,4-triazin-5-yl]-N,N-dimethylaniline has a molecular weight of 363.47 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(dimethylamino)phenyl]-3-ethoxy-1,2,4-triazin-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 20549288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).