[1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-ethylpiperidin-2-yl]methanamine

C15H27N5 — CID 103353534

IUPAC[1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-ethylpiperidin-2-yl]methanamine
SMILESCCc1nnc(N2CCC(CC)CC2CN)nc1CC
InChIInChI=1S/C15H27N5/c1-4-11-7-8-20(12(9-11)10-16)15-17-13(5-2)14(6-3)18-19-15/h11-12H,4-10,16H2,1-3H3
InChIKeyPJMZJGNUEQPJAG-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.95
Rot. Bonds5

About [1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-ethylpiperidin-2-yl]methanamine

[1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-ethylpiperidin-2-yl]methanamine (PubChem CID 103353534) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is [1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-ethylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-ethylpiperidin-2-yl]methanamine
PubChem CID103353534
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name[1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-ethylpiperidin-2-yl]methanamine
SMILESCCc1nnc(N2CCC(CC)CC2CN)nc1CC
InChIInChI=1S/C15H27N5/c1-4-11-7-8-20(12(9-11)10-16)15-17-13(5-2)14(6-3)18-19-15/h11-12H,4-10,16H2,1-3H3
InChIKeyPJMZJGNUEQPJAG-UHFFFAOYSA-N
XLogP1.95
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-ethylpiperidin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-ethylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-ethylpiperidin-2-yl]methanamine (CID 103353534) is [1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-ethylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-ethylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-ethylpiperidin-2-yl]methanamine is CCc1nnc(N2CCC(CC)CC2CN)nc1CC.
What is the InChIKey of [1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-ethylpiperidin-2-yl]methanamine?
The InChIKey is PJMZJGNUEQPJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-4-11-7-8-20(12(9-11)10-16)15-17-13(5-2)14(6-3)18-19-15/h11-12H,4-10,16H2,1-3H3.
What are the key properties of [1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-ethylpiperidin-2-yl]methanamine?
[1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-ethylpiperidin-2-yl]methanamine has a molecular weight of 277.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-ethylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103353534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).