5-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine

C13H23N5O — CID 112943549

IUPAC5-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
SMILESCCC1CCCCN1c1cnnc(NCCOC)n1
InChIInChI=1S/C13H23N5O/c1-3-11-6-4-5-8-18(11)12-10-15-17-13(16-12)14-7-9-19-2/h10-11H,3-9H2,1-2H3,(H,14,16,17)
InChIKeyCJDYYYCDSFLIEE-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.70
Rot. Bonds6

About 5-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine

5-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine (PubChem CID 112943549) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
PubChem CID112943549
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name5-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
SMILESCCC1CCCCN1c1cnnc(NCCOC)n1
InChIInChI=1S/C13H23N5O/c1-3-11-6-4-5-8-18(11)12-10-15-17-13(16-12)14-7-9-19-2/h10-11H,3-9H2,1-2H3,(H,14,16,17)
InChIKeyCJDYYYCDSFLIEE-UHFFFAOYSA-N
XLogP1.70
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.70
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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Related Compounds

N-cyclopentyl-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112941690
N-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941809
N-[2-(cyclohexen-1-yl)ethyl]-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112943182
5-(2-ethylpiperidin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazin-3-amine
CID 112953534
N-(3,4-dimethoxyphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960419
N-(3,5-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960380
N-(4-chlorophenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960398
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960381
N-(1,1-dioxothiolan-3-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112954980
N-(3-chloro-4-methylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960402
N-(2-tert-butylphenyl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112960392
5-(2-ethylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)-1,2,4-triazin-3-amine
CID 112960414

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine (CID 112943549) is 5-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine is CCC1CCCCN1c1cnnc(NCCOC)n1.
What is the InChIKey of 5-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine?
The InChIKey is CJDYYYCDSFLIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-11-6-4-5-8-18(11)12-10-15-17-13(16-12)14-7-9-19-2/h10-11H,3-9H2,1-2H3,(H,14,16,17).
What are the key properties of 5-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine?
5-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine has a molecular weight of 265.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpiperidin-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112943549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).