2-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]-N-methylethanamine

C15H27N5 — CID 105363020

IUPAC2-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]-N-methylethanamine
SMILESCCc1nnc(N2CCC(CCNC)CC2)nc1CC
InChIInChI=1S/C15H27N5/c1-4-13-14(5-2)18-19-15(17-13)20-10-7-12(8-11-20)6-9-16-3/h12,16H,4-11H2,1-3H3
InChIKeyITLCEVZPTOAYFS-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.82
Rot. Bonds6

About 2-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]-N-methylethanamine

2-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]-N-methylethanamine (PubChem CID 105363020) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]-N-methylethanamine
PubChem CID105363020
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name2-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]-N-methylethanamine
SMILESCCc1nnc(N2CCC(CCNC)CC2)nc1CC
InChIInChI=1S/C15H27N5/c1-4-13-14(5-2)18-19-15(17-13)20-10-7-12(8-11-20)6-9-16-3/h12,16H,4-11H2,1-3H3
InChIKeyITLCEVZPTOAYFS-UHFFFAOYSA-N
XLogP1.82
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]-N-methylethanamine (CID 105363020) is 2-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]-N-methylethanamine is CCc1nnc(N2CCC(CCNC)CC2)nc1CC.
What is the InChIKey of 2-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]-N-methylethanamine?
The InChIKey is ITLCEVZPTOAYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-4-13-14(5-2)18-19-15(17-13)20-10-7-12(8-11-20)6-9-16-3/h12,16H,4-11H2,1-3H3.
What are the key properties of 2-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]-N-methylethanamine?
2-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]-N-methylethanamine has a molecular weight of 277.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]-N-methylethanamine is sourced from PubChem (CID 105363020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).