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

C14H18N4O — CID 114383176

IUPAC5,6-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine
SMILESCc1cccc(OCCNc2nnc(C)c(C)n2)c1
InChIInChI=1S/C14H18N4O/c1-10-5-4-6-13(9-10)19-8-7-15-14-16-11(2)12(3)17-18-14/h4-6,9H,7-8H2,1-3H3,(H,15,16,18)
InChIKeySNPGNKZPYTWJFF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.29
Rot. Bonds5

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

5,6-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine (PubChem CID 114383176) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5,6-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine
PubChem CID114383176
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5,6-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine
SMILESCc1cccc(OCCNc2nnc(C)c(C)n2)c1
InChIInChI=1S/C14H18N4O/c1-10-5-4-6-13(9-10)19-8-7-15-14-16-11(2)12(3)17-18-14/h4-6,9H,7-8H2,1-3H3,(H,15,16,18)
InChIKeySNPGNKZPYTWJFF-UHFFFAOYSA-N
XLogP2.29
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.29
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-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine (CID 114383176) is 5,6-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine is Cc1cccc(OCCNc2nnc(C)c(C)n2)c1.
What is the InChIKey of 5,6-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine?
The InChIKey is SNPGNKZPYTWJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-5-4-6-13(9-10)19-8-7-15-14-16-11(2)12(3)17-18-14/h4-6,9H,7-8H2,1-3H3,(H,15,16,18).
What are the key properties of 5,6-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine?
5,6-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine has a molecular weight of 258.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 114383176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).