5-N-(2,4-dimethoxyphenyl)-3-N-ethyl-3-N-phenyl-1,2,4-triazine-3,5-diamine

C19H21N5O2 — CID 112964441

IUPAC5-N-(2,4-dimethoxyphenyl)-3-N-ethyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCCN(c1ccccc1)c1nncc(Nc2ccc(OC)cc2OC)n1
InChIInChI=1S/C19H21N5O2/c1-4-24(14-8-6-5-7-9-14)19-22-18(13-20-23-19)21-16-11-10-15(25-2)12-17(16)26-3/h5-13H,4H2,1-3H3,(H,21,22,23)
InChIKeyGHDVDDZQHNMJSW-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.79
Rot. Bonds7

About 5-N-(2,4-dimethoxyphenyl)-3-N-ethyl-3-N-phenyl-1,2,4-triazine-3,5-diamine

5-N-(2,4-dimethoxyphenyl)-3-N-ethyl-3-N-phenyl-1,2,4-triazine-3,5-diamine (PubChem CID 112964441) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-N-(2,4-dimethoxyphenyl)-3-N-ethyl-3-N-phenyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,4-dimethoxyphenyl)-3-N-ethyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
PubChem CID112964441
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5-N-(2,4-dimethoxyphenyl)-3-N-ethyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCCN(c1ccccc1)c1nncc(Nc2ccc(OC)cc2OC)n1
InChIInChI=1S/C19H21N5O2/c1-4-24(14-8-6-5-7-9-14)19-22-18(13-20-23-19)21-16-11-10-15(25-2)12-17(16)26-3/h5-13H,4H2,1-3H3,(H,21,22,23)
InChIKeyGHDVDDZQHNMJSW-UHFFFAOYSA-N
XLogP3.79
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-N-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112954374
5-N-(2,4-dimethoxyphenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112954767
5-N-(2,4-dimethoxyphenyl)-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950973
5-N-[4-(diethylamino)phenyl]-3-N-(2,4-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112968056
5-N-(2,4-dimethoxyphenyl)-3-N-(2-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112961888
2-N-benzyl-4-N-(2,4-dimethoxyphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 112919058
3-N-benzyl-5-N-(2-ethoxyphenyl)-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112967482
3-N-ethyl-5-N-pentyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112959814
5-N-(2,4-dimethoxyphenyl)-3-N-(2,5-dimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112963248
5-N-(2,4-dimethoxyphenyl)-3-N-[2-(4-methoxyphenoxy)ethyl]-1,2,4-triazine-3,5-diamine
CID 112958785
5-N-(2,4-dimethoxyphenyl)-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954514
5-N-(2,5-dimethoxyphenyl)-3-N-(1,1-dioxothiolan-3-yl)-3-N-ethyl-1,2,4-triazine-3,5-diamine
CID 112956833

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,4-dimethoxyphenyl)-3-N-ethyl-3-N-phenyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(2,4-dimethoxyphenyl)-3-N-ethyl-3-N-phenyl-1,2,4-triazine-3,5-diamine (CID 112964441) is 5-N-(2,4-dimethoxyphenyl)-3-N-ethyl-3-N-phenyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(2,4-dimethoxyphenyl)-3-N-ethyl-3-N-phenyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(2,4-dimethoxyphenyl)-3-N-ethyl-3-N-phenyl-1,2,4-triazine-3,5-diamine is CCN(c1ccccc1)c1nncc(Nc2ccc(OC)cc2OC)n1.
What is the InChIKey of 5-N-(2,4-dimethoxyphenyl)-3-N-ethyl-3-N-phenyl-1,2,4-triazine-3,5-diamine?
The InChIKey is GHDVDDZQHNMJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-4-24(14-8-6-5-7-9-14)19-22-18(13-20-23-19)21-16-11-10-15(25-2)12-17(16)26-3/h5-13H,4H2,1-3H3,(H,21,22,23).
What are the key properties of 5-N-(2,4-dimethoxyphenyl)-3-N-ethyl-3-N-phenyl-1,2,4-triazine-3,5-diamine?
5-N-(2,4-dimethoxyphenyl)-3-N-ethyl-3-N-phenyl-1,2,4-triazine-3,5-diamine has a molecular weight of 351.41 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,4-dimethoxyphenyl)-3-N-ethyl-3-N-phenyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112964441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).