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

C19H21N5 — CID 112948446

IUPAC5-N-ethyl-3-N-[(3-methylphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCCN(c1ccccc1)c1cnnc(NCc2cccc(C)c2)n1
InChIInChI=1S/C19H21N5/c1-3-24(17-10-5-4-6-11-17)18-14-21-23-19(22-18)20-13-16-9-7-8-15(2)12-16/h4-12,14H,3,13H2,1-2H3,(H,20,22,23)
InChIKeyBATDFXLYCHVUNX-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.95
Rot. Bonds6

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

5-N-ethyl-3-N-[(3-methylphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine (PubChem CID 112948446) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-N-ethyl-3-N-[(3-methylphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-3-N-[(3-methylphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
PubChem CID112948446
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name5-N-ethyl-3-N-[(3-methylphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
SMILESCCN(c1ccccc1)c1cnnc(NCc2cccc(C)c2)n1
InChIInChI=1S/C19H21N5/c1-3-24(17-10-5-4-6-11-17)18-14-21-23-19(22-18)20-13-16-9-7-8-15(2)12-16/h4-12,14H,3,13H2,1-2H3,(H,20,22,23)
InChIKeyBATDFXLYCHVUNX-UHFFFAOYSA-N
XLogP3.95
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-ethyl-5-N-(3-methylphenyl)-3-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112952466
5-N-ethyl-5-N-(3-methylphenyl)-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940647
5-N-ethyl-5-N-(3-methylphenyl)-3-N-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962353
5-N-ethyl-3-N-[2-(2-methoxyphenyl)ethyl]-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112954108
5-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112950941
3-N-benzyl-5-N,5-N-diethyl-1,2,4-triazine-3,5-diamine
CID 112947736
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-(4-methoxyphenyl)-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112967453
5-N-methyl-3-N-[(3-methylphenyl)methyl]-5-N-(2-pyridin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112948390
3-N-(2-ethoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112967560
5-N-benzyl-3-N-[(4-fluorophenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112950148
5-N-benzyl-3-N-butyl-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112940224

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-3-N-[(3-methylphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-ethyl-3-N-[(3-methylphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine (CID 112948446) is 5-N-ethyl-3-N-[(3-methylphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-ethyl-3-N-[(3-methylphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-ethyl-3-N-[(3-methylphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine is CCN(c1ccccc1)c1cnnc(NCc2cccc(C)c2)n1.
What is the InChIKey of 5-N-ethyl-3-N-[(3-methylphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine?
The InChIKey is BATDFXLYCHVUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-3-24(17-10-5-4-6-11-17)18-14-21-23-19(22-18)20-13-16-9-7-8-15(2)12-16/h4-12,14H,3,13H2,1-2H3,(H,20,22,23).
What are the key properties of 5-N-ethyl-3-N-[(3-methylphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine?
5-N-ethyl-3-N-[(3-methylphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine has a molecular weight of 319.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-3-N-[(3-methylphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112948446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).