5,6-diethyl-N-[3-(2-methylpropoxy)propyl]-1,2,4-triazin-3-amine

C14H26N4O — CID 102677358

IUPAC5,6-diethyl-N-[3-(2-methylpropoxy)propyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCCOCC(C)C)nc1CC
InChIInChI=1S/C14H26N4O/c1-5-12-13(6-2)17-18-14(16-12)15-8-7-9-19-10-11(3)4/h11H,5-10H2,1-4H3,(H,15,16,18)
InChIKeyWFXGCPFKEUZFDX-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.47
Rot. Bonds9

About 5,6-diethyl-N-[3-(2-methylpropoxy)propyl]-1,2,4-triazin-3-amine

5,6-diethyl-N-[3-(2-methylpropoxy)propyl]-1,2,4-triazin-3-amine (PubChem CID 102677358) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 5,6-diethyl-N-[3-(2-methylpropoxy)propyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-[3-(2-methylpropoxy)propyl]-1,2,4-triazin-3-amine
PubChem CID102677358
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name5,6-diethyl-N-[3-(2-methylpropoxy)propyl]-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCCCOCC(C)C)nc1CC
InChIInChI=1S/C14H26N4O/c1-5-12-13(6-2)17-18-14(16-12)15-8-7-9-19-10-11(3)4/h11H,5-10H2,1-4H3,(H,15,16,18)
InChIKeyWFXGCPFKEUZFDX-UHFFFAOYSA-N
XLogP2.47
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.47
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-[3-(2-methylpropoxy)propyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-[3-(2-methylpropoxy)propyl]-1,2,4-triazin-3-amine (CID 102677358) is 5,6-diethyl-N-[3-(2-methylpropoxy)propyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-[3-(2-methylpropoxy)propyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-[3-(2-methylpropoxy)propyl]-1,2,4-triazin-3-amine is CCc1nnc(NCCCOCC(C)C)nc1CC.
What is the InChIKey of 5,6-diethyl-N-[3-(2-methylpropoxy)propyl]-1,2,4-triazin-3-amine?
The InChIKey is WFXGCPFKEUZFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-12-13(6-2)17-18-14(16-12)15-8-7-9-19-10-11(3)4/h11H,5-10H2,1-4H3,(H,15,16,18).
What are the key properties of 5,6-diethyl-N-[3-(2-methylpropoxy)propyl]-1,2,4-triazin-3-amine?
5,6-diethyl-N-[3-(2-methylpropoxy)propyl]-1,2,4-triazin-3-amine has a molecular weight of 266.39 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-N-[3-(2-methylpropoxy)propyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 102677358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).