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

C19H21N5O — CID 112950941

IUPAC5-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCCN(c1ccccc1)c1cnnc(NCc2ccccc2OC)n1
InChIInChI=1S/C19H21N5O/c1-3-24(16-10-5-4-6-11-16)18-14-21-23-19(22-18)20-13-15-9-7-8-12-17(15)25-2/h4-12,14H,3,13H2,1-2H3,(H,20,22,23)
InChIKeyQHOYZUBGSRACJP-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.65
Rot. Bonds7

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

5-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine (PubChem CID 112950941) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
PubChem CID112950941
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCCN(c1ccccc1)c1cnnc(NCc2ccccc2OC)n1
InChIInChI=1S/C19H21N5O/c1-3-24(16-10-5-4-6-11-16)18-14-21-23-19(22-18)20-13-15-9-7-8-12-17(15)25-2/h4-12,14H,3,13H2,1-2H3,(H,20,22,23)
InChIKeyQHOYZUBGSRACJP-UHFFFAOYSA-N
XLogP3.65
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-N-ethyl-3-N-[2-(2-methoxyphenyl)ethyl]-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112954108
3-N-[3-(dimethylamino)propyl]-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112945679
5-N-ethyl-3-N-(3-methoxyphenyl)-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112964343
5-N-ethyl-3-N-[(3-methylphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112948446
5-N-ethyl-5-N-phenyl-3-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112964348
N-[(2-methoxyphenyl)methyl]-5-(4-phenylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112950896
3-N-[2-(2-methoxyphenyl)ethyl]-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950746
5-N-[(2-methoxyphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940487
3-N-[(2-chlorophenyl)methyl]-5-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950324
3-N-cyclohexyl-5-N-ethyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112942468
5-N-cyclopentyl-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112941449
5-N-[2-(4-methoxyphenyl)ethyl]-3-N-[(2-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112950891

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine (CID 112950941) is 5-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine is CCN(c1ccccc1)c1cnnc(NCc2ccccc2OC)n1.
What is the InChIKey of 5-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The InChIKey is QHOYZUBGSRACJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-3-24(16-10-5-4-6-11-16)18-14-21-23-19(22-18)20-13-15-9-7-8-12-17(15)25-2/h4-12,14H,3,13H2,1-2H3,(H,20,22,23).
What are the key properties of 5-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine?
5-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine has a molecular weight of 335.41 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112950941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).