5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine

C18H26N6O — CID 112945329

IUPAC5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
SMILESCCc1cccc(C)c1Nc1cnnc(NCCN2CCOCC2)n1
InChIInChI=1S/C18H26N6O/c1-3-15-6-4-5-14(2)17(15)21-16-13-20-23-18(22-16)19-7-8-24-9-11-25-12-10-24/h4-6,13H,3,7-12H2,1-2H3,(H2,19,21,22,23)
InChIKeyJIWXKEUSYGXOTQ-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.23
Rot. Bonds7

About 5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine

5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112945329) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
PubChem CID112945329
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
SMILESCCc1cccc(C)c1Nc1cnnc(NCCN2CCOCC2)n1
InChIInChI=1S/C18H26N6O/c1-3-15-6-4-5-14(2)17(15)21-16-13-20-23-18(22-16)19-7-8-24-9-11-25-12-10-24/h4-6,13H,3,7-12H2,1-2H3,(H2,19,21,22,23)
InChIKeyJIWXKEUSYGXOTQ-UHFFFAOYSA-N
XLogP2.23
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913349
3-N-(2,6-dimethylphenyl)-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945153
4-N-(2-ethyl-6-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857635
5-N-(3-chloro-2-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945342
5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945415
5-N-(2-ethyl-6-methylphenyl)-3-N-[2-(4-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953814
5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947425
5-N-tert-butyl-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945299
3-N-(2-morpholin-4-ylethyl)-5-N-(4-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112945331
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-1,2,4-triazin-3-amine
CID 112945291
5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945380
3-N-[(2-fluorophenyl)methyl]-5-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine
CID 112945086

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine (CID 112945329) is 5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine is CCc1cccc(C)c1Nc1cnnc(NCCN2CCOCC2)n1.
What is the InChIKey of 5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is JIWXKEUSYGXOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-3-15-6-4-5-14(2)17(15)21-16-13-20-23-18(22-16)19-7-8-24-9-11-25-12-10-24/h4-6,13H,3,7-12H2,1-2H3,(H2,19,21,22,23).
What are the key properties of 5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine?
5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 342.45 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-ethyl-6-methylphenyl)-3-N-(2-morpholin-4-ylethyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112945329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).