3-N-(2-ethoxyphenyl)-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine

C15H21N5O2 — CID 112943782

IUPAC3-N-(2-ethoxyphenyl)-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
SMILESCCOc1ccccc1Nc1nncc(NCCCOC)n1
InChIInChI=1S/C15H21N5O2/c1-3-22-13-8-5-4-7-12(13)18-15-19-14(11-17-20-15)16-9-6-10-21-2/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H2,16,18,19,20)
InChIKeyGYVIYMJJDAMMMC-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.46
Rot. Bonds9

About 3-N-(2-ethoxyphenyl)-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine

3-N-(2-ethoxyphenyl)-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine (PubChem CID 112943782) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-N-(2-ethoxyphenyl)-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(2-ethoxyphenyl)-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
PubChem CID112943782
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name3-N-(2-ethoxyphenyl)-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
SMILESCCOc1ccccc1Nc1nncc(NCCCOC)n1
InChIInChI=1S/C15H21N5O2/c1-3-22-13-8-5-4-7-12(13)18-15-19-14(11-17-20-15)16-9-6-10-21-2/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H2,16,18,19,20)
InChIKeyGYVIYMJJDAMMMC-UHFFFAOYSA-N
XLogP2.46
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-N-(4-tert-butylphenyl)-3-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112965281
5-N-(2-ethoxyphenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938622
5-N-(2-methoxyethyl)-3-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112943387
3-N-[2-(2-methoxyphenyl)ethyl]-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
CID 112943696
5-N-(2,3-dichlorophenyl)-3-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967553
3-N-(3-methoxypropyl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112943940
3-N-(2-ethoxyphenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964911
5-N-(2-chlorophenyl)-3-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine
CID 112943949
3-N-(2-ethoxyphenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112967564
3-N-(3-chloro-2-methylphenyl)-5-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112966212
5-N-(2-ethoxyphenyl)-3-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954508
3-N-(4-chlorophenyl)-5-N-(2-ethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112966082

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethoxyphenyl)-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine?
The IUPAC name of 3-N-(2-ethoxyphenyl)-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine (CID 112943782) is 3-N-(2-ethoxyphenyl)-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 3-N-(2-ethoxyphenyl)-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 3-N-(2-ethoxyphenyl)-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine is CCOc1ccccc1Nc1nncc(NCCCOC)n1.
What is the InChIKey of 3-N-(2-ethoxyphenyl)-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine?
The InChIKey is GYVIYMJJDAMMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-3-22-13-8-5-4-7-12(13)18-15-19-14(11-17-20-15)16-9-6-10-21-2/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H2,16,18,19,20).
What are the key properties of 3-N-(2-ethoxyphenyl)-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine?
3-N-(2-ethoxyphenyl)-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine has a molecular weight of 303.37 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethoxyphenyl)-5-N-(3-methoxypropyl)-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 112943782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).