5-N-(4-ethoxyphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine

C21H24N6O2 — CID 112967586

IUPAC5-N-(4-ethoxyphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCOc1ccc(Nc2cnnc(Nc3ccccc3N3CCOCC3)n2)cc1
InChIInChI=1S/C21H24N6O2/c1-2-29-17-9-7-16(8-10-17)23-20-15-22-26-21(25-20)24-18-5-3-4-6-19(18)27-11-13-28-14-12-27/h3-10,15H,2,11-14H2,1H3,(H2,23,24,25,26)
InChIKeyLQEXNUMLXCQRRC-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.59
Rot. Bonds7

About 5-N-(4-ethoxyphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine

5-N-(4-ethoxyphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112967586) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-N-(4-ethoxyphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-ethoxyphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112967586
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name5-N-(4-ethoxyphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCOc1ccc(Nc2cnnc(Nc3ccccc3N3CCOCC3)n2)cc1
InChIInChI=1S/C21H24N6O2/c1-2-29-17-9-7-16(8-10-17)23-20-15-22-26-21(25-20)24-18-5-3-4-6-19(18)27-11-13-28-14-12-27/h3-10,15H,2,11-14H2,1H3,(H2,23,24,25,26)
InChIKeyLQEXNUMLXCQRRC-UHFFFAOYSA-N
XLogP3.59
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-N-(4-ethoxyphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-N-(4-ethoxyphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904936
5-N-(4-methylphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962217
5-N-(3,4-difluorophenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112969000
5-N-[(4-methoxyphenyl)methyl]-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112951133
5-N-(2-fluorophenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112965414
5-N-(2,3-dimethylphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963863
3-N-(3-methylphenyl)-5-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962114
3-N-(2-morpholin-4-ylphenyl)-5-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939635
3-N-(5-chloro-2-methylphenyl)-5-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112966351
3-N-(4-ethoxyphenyl)-5-N-(4-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967619
N-(4-ethoxyphenyl)-5-[4-(2-fluorophenyl)piperazin-1-yl]-1,2,4-triazin-3-amine
CID 112957610
3-N-(4-ethoxyphenyl)-5-N-(4-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112965552

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-ethoxyphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(4-ethoxyphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine (CID 112967586) is 5-N-(4-ethoxyphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(4-ethoxyphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(4-ethoxyphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine is CCOc1ccc(Nc2cnnc(Nc3ccccc3N3CCOCC3)n2)cc1.
What is the InChIKey of 5-N-(4-ethoxyphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is LQEXNUMLXCQRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-2-29-17-9-7-16(8-10-17)23-20-15-22-26-21(25-20)24-18-5-3-4-6-19(18)27-11-13-28-14-12-27/h3-10,15H,2,11-14H2,1H3,(H2,23,24,25,26).
What are the key properties of 5-N-(4-ethoxyphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine?
5-N-(4-ethoxyphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 392.46 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-ethoxyphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112967586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).