3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxymethyl]pentan-3-amine

C13H24N4O — CID 105363294

IUPAC3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxymethyl]pentan-3-amine
SMILESCCc1nnc(OCC(N)(CC)CC)nc1CC
InChIInChI=1S/C13H24N4O/c1-5-10-11(6-2)16-17-12(15-10)18-9-13(14,7-3)8-4/h5-9,14H2,1-4H3
InChIKeySMULHUHZAFUJRZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.89
Rot. Bonds7

About 3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxymethyl]pentan-3-amine

3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxymethyl]pentan-3-amine (PubChem CID 105363294) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxymethyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxymethyl]pentan-3-amine
PubChem CID105363294
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxymethyl]pentan-3-amine
SMILESCCc1nnc(OCC(N)(CC)CC)nc1CC
InChIInChI=1S/C13H24N4O/c1-5-10-11(6-2)16-17-12(15-10)18-9-13(14,7-3)8-4/h5-9,14H2,1-4H3
InChIKeySMULHUHZAFUJRZ-UHFFFAOYSA-N
XLogP1.89
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxymethyl]pentan-3-amine?
The IUPAC name of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxymethyl]pentan-3-amine (CID 105363294) is 3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxymethyl]pentan-3-amine.
What is the SMILES notation for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxymethyl]pentan-3-amine?
The canonical SMILES for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxymethyl]pentan-3-amine is CCc1nnc(OCC(N)(CC)CC)nc1CC.
What is the InChIKey of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxymethyl]pentan-3-amine?
The InChIKey is SMULHUHZAFUJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-10-11(6-2)16-17-12(15-10)18-9-13(14,7-3)8-4/h5-9,14H2,1-4H3.
What are the key properties of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxymethyl]pentan-3-amine?
3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxymethyl]pentan-3-amine has a molecular weight of 252.36 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxymethyl]pentan-3-amine is sourced from PubChem (CID 105363294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).