3-N-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-phenyl-1,2,4-triazine-3,5-diamine

C20H23N5O — CID 112954374

IUPAC3-N-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCCN(c1ccccc1)c1nncc(NCCc2ccc(OC)cc2)n1
InChIInChI=1S/C20H23N5O/c1-3-25(17-7-5-4-6-8-17)20-23-19(15-22-24-20)21-14-13-16-9-11-18(26-2)12-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,21,23,24)
InChIKeyGXWGNHLFTYFSEH-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.69
Rot. Bonds8

About 3-N-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-phenyl-1,2,4-triazine-3,5-diamine

3-N-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-phenyl-1,2,4-triazine-3,5-diamine (PubChem CID 112954374) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-N-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-phenyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-phenyl-1,2,4-triazine-3,5-diamine
PubChem CID112954374
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-N-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCCN(c1ccccc1)c1nncc(NCCc2ccc(OC)cc2)n1
InChIInChI=1S/C20H23N5O/c1-3-25(17-7-5-4-6-8-17)20-23-19(15-22-24-20)21-14-13-16-9-11-18(26-2)12-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,21,23,24)
InChIKeyGXWGNHLFTYFSEH-UHFFFAOYSA-N
XLogP3.69
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112895391
4-[2-[[3-(N-ethylanilino)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide
CID 112955946
3-N-benzyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949388
3-N-ethyl-5-N-pentyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112959814
5-N-[2-(4-chlorophenyl)ethyl]-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112956125
5-N-(2,4-dimethoxyphenyl)-3-N-ethyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112964441
3-N-ethyl-5-N-[2-(4-methoxyphenoxy)ethyl]-3-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112958727
3-N-(2-ethylphenyl)-5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954372
5-N-[2-(4-methoxyphenyl)ethyl]-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950891
N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112954337
5-N-[2-(3-methoxyphenyl)ethyl]-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954114
3-N-benzyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-1,2,4-triazine-3,5-diamine
CID 112949376

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-phenyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-phenyl-1,2,4-triazine-3,5-diamine (CID 112954374) is 3-N-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-phenyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-phenyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-phenyl-1,2,4-triazine-3,5-diamine is CCN(c1ccccc1)c1nncc(NCCc2ccc(OC)cc2)n1.
What is the InChIKey of 3-N-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-phenyl-1,2,4-triazine-3,5-diamine?
The InChIKey is GXWGNHLFTYFSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-25(17-7-5-4-6-8-17)20-23-19(15-22-24-20)21-14-13-16-9-11-18(26-2)12-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,21,23,24).
What are the key properties of 3-N-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-phenyl-1,2,4-triazine-3,5-diamine?
3-N-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-phenyl-1,2,4-triazine-3,5-diamine has a molecular weight of 349.44 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-phenyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112954374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).