5,6-diethyl-N-(4-methoxybutyl)-1,2,4-triazin-3-amine

C12H22N4O — CID 105362562

IUPAC5,6-diethyl-N-(4-methoxybutyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCCCOC)nc1CC
InChIInChI=1S/C12H22N4O/c1-4-10-11(5-2)15-16-12(14-10)13-8-6-7-9-17-3/h4-9H2,1-3H3,(H,13,14,16)
InChIKeyGVQMWKRYUDOALG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.83
Rot. Bonds8

About 5,6-diethyl-N-(4-methoxybutyl)-1,2,4-triazin-3-amine

5,6-diethyl-N-(4-methoxybutyl)-1,2,4-triazin-3-amine (PubChem CID 105362562) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5,6-diethyl-N-(4-methoxybutyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-(4-methoxybutyl)-1,2,4-triazin-3-amine
PubChem CID105362562
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5,6-diethyl-N-(4-methoxybutyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCCCOC)nc1CC
InChIInChI=1S/C12H22N4O/c1-4-10-11(5-2)15-16-12(14-10)13-8-6-7-9-17-3/h4-9H2,1-3H3,(H,13,14,16)
InChIKeyGVQMWKRYUDOALG-UHFFFAOYSA-N
XLogP1.83
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.83
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-(4-methoxybutyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-(4-methoxybutyl)-1,2,4-triazin-3-amine (CID 105362562) is 5,6-diethyl-N-(4-methoxybutyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-(4-methoxybutyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-(4-methoxybutyl)-1,2,4-triazin-3-amine is CCc1nnc(NCCCCOC)nc1CC.
What is the InChIKey of 5,6-diethyl-N-(4-methoxybutyl)-1,2,4-triazin-3-amine?
The InChIKey is GVQMWKRYUDOALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-10-11(5-2)15-16-12(14-10)13-8-6-7-9-17-3/h4-9H2,1-3H3,(H,13,14,16).
What are the key properties of 5,6-diethyl-N-(4-methoxybutyl)-1,2,4-triazin-3-amine?
5,6-diethyl-N-(4-methoxybutyl)-1,2,4-triazin-3-amine has a molecular weight of 238.33 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-(4-methoxybutyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).