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

C21H25N5O — CID 112954108

IUPAC5-N-ethyl-3-N-[2-(2-methoxyphenyl)ethyl]-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCN(c1cccc(C)c1)c1cnnc(NCCc2ccccc2OC)n1
InChIInChI=1S/C21H25N5O/c1-4-26(18-10-7-8-16(2)14-18)20-15-23-25-21(24-20)22-13-12-17-9-5-6-11-19(17)27-3/h5-11,14-15H,4,12-13H2,1-3H3,(H,22,24,25)
InChIKeyHFGSIDRIDSHYMF-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.00
Rot. Bonds8

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

5-N-ethyl-3-N-[2-(2-methoxyphenyl)ethyl]-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112954108) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 5-N-ethyl-3-N-[2-(2-methoxyphenyl)ethyl]-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-3-N-[2-(2-methoxyphenyl)ethyl]-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
PubChem CID112954108
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name5-N-ethyl-3-N-[2-(2-methoxyphenyl)ethyl]-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
SMILESCCN(c1cccc(C)c1)c1cnnc(NCCc2ccccc2OC)n1
InChIInChI=1S/C21H25N5O/c1-4-26(18-10-7-8-16(2)14-18)20-15-23-25-21(24-20)22-13-12-17-9-5-6-11-19(17)27-3/h5-11,14-15H,4,12-13H2,1-3H3,(H,22,24,25)
InChIKeyHFGSIDRIDSHYMF-UHFFFAOYSA-N
XLogP4.00
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-5-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112950941
5-N-ethyl-5-N-(3-methylphenyl)-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940647
5-N-ethyl-3-N-(4-methoxyphenyl)-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112967453
3-N-(2-ethoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112967560
3-N-(4-chloro-2,5-dimethoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112969630
3-N-(5-chloro-2-methoxyphenyl)-5-N-ethyl-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112966974
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-(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-(4-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962353
methyl 4-[[5-(N-ethyl-3-methylanilino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112968768
5-N-(2,4-dimethylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954036
5-N-(1,1-dioxothiolan-3-yl)-3-N-[2-(2-methoxyphenyl)ethyl]-5-N-methyl-1,2,4-triazine-3,5-diamine
CID 112954006

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-3-N-[2-(2-methoxyphenyl)ethyl]-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-ethyl-3-N-[2-(2-methoxyphenyl)ethyl]-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine (CID 112954108) is 5-N-ethyl-3-N-[2-(2-methoxyphenyl)ethyl]-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-ethyl-3-N-[2-(2-methoxyphenyl)ethyl]-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-ethyl-3-N-[2-(2-methoxyphenyl)ethyl]-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine is CCN(c1cccc(C)c1)c1cnnc(NCCc2ccccc2OC)n1.
What is the InChIKey of 5-N-ethyl-3-N-[2-(2-methoxyphenyl)ethyl]-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is HFGSIDRIDSHYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-4-26(18-10-7-8-16(2)14-18)20-15-23-25-21(24-20)22-13-12-17-9-5-6-11-19(17)27-3/h5-11,14-15H,4,12-13H2,1-3H3,(H,22,24,25).
What are the key properties of 5-N-ethyl-3-N-[2-(2-methoxyphenyl)ethyl]-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine?
5-N-ethyl-3-N-[2-(2-methoxyphenyl)ethyl]-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 363.47 g/mol, XLogP of 4.00, 8 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-(2-methoxyphenyl)ethyl]-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112954108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).