5,6-diethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine

C16H22N4O — CID 105362556

IUPAC5,6-diethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCOc2cccc(C)c2)nc1CC
InChIInChI=1S/C16H22N4O/c1-4-14-15(5-2)19-20-16(18-14)17-9-10-21-13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,17,18,20)
InChIKeyXMDUHVVGGXCIOE-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.80
Rot. Bonds7

About 5,6-diethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine

5,6-diethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine (PubChem CID 105362556) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5,6-diethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine
PubChem CID105362556
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5,6-diethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCOc2cccc(C)c2)nc1CC
InChIInChI=1S/C16H22N4O/c1-4-14-15(5-2)19-20-16(18-14)17-9-10-21-13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,17,18,20)
InChIKeyXMDUHVVGGXCIOE-UHFFFAOYSA-N
XLogP2.80
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine (CID 105362556) is 5,6-diethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine is CCc1nnc(NCCOc2cccc(C)c2)nc1CC.
What is the InChIKey of 5,6-diethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine?
The InChIKey is XMDUHVVGGXCIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-14-15(5-2)19-20-16(18-14)17-9-10-21-13-8-6-7-12(3)11-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,17,18,20).
What are the key properties of 5,6-diethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine?
5,6-diethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine has a molecular weight of 286.38 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).