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

C13H24N4O2 — CID 102677364

IUPAC5,6-diethyl-N-[3-(2-methoxyethoxy)propyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCCOCCOC)nc1CC
InChIInChI=1S/C13H24N4O2/c1-4-11-12(5-2)16-17-13(15-11)14-7-6-8-19-10-9-18-3/h4-10H2,1-3H3,(H,14,15,17)
InChIKeyFPVJSEAKSNODND-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.46
Rot. Bonds10

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

5,6-diethyl-N-[3-(2-methoxyethoxy)propyl]-1,2,4-triazin-3-amine (PubChem CID 102677364) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5,6-diethyl-N-[3-(2-methoxyethoxy)propyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-[3-(2-methoxyethoxy)propyl]-1,2,4-triazin-3-amine
PubChem CID102677364
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name5,6-diethyl-N-[3-(2-methoxyethoxy)propyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCCOCCOC)nc1CC
InChIInChI=1S/C13H24N4O2/c1-4-11-12(5-2)16-17-13(15-11)14-7-6-8-19-10-9-18-3/h4-10H2,1-3H3,(H,14,15,17)
InChIKeyFPVJSEAKSNODND-UHFFFAOYSA-N
XLogP1.46
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[3-(2-methoxyethoxy)propyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-[3-(2-methoxyethoxy)propyl]-1,2,4-triazin-3-amine (CID 102677364) is 5,6-diethyl-N-[3-(2-methoxyethoxy)propyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-[3-(2-methoxyethoxy)propyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-[3-(2-methoxyethoxy)propyl]-1,2,4-triazin-3-amine is CCc1nnc(NCCCOCCOC)nc1CC.
What is the InChIKey of 5,6-diethyl-N-[3-(2-methoxyethoxy)propyl]-1,2,4-triazin-3-amine?
The InChIKey is FPVJSEAKSNODND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-11-12(5-2)16-17-13(15-11)14-7-6-8-19-10-9-18-3/h4-10H2,1-3H3,(H,14,15,17).
What are the key properties of 5,6-diethyl-N-[3-(2-methoxyethoxy)propyl]-1,2,4-triazin-3-amine?
5,6-diethyl-N-[3-(2-methoxyethoxy)propyl]-1,2,4-triazin-3-amine has a molecular weight of 268.36 g/mol, XLogP of 1.46, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-[3-(2-methoxyethoxy)propyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 102677364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).