N-(2-ethoxyethyl)-5,6-diethyl-1,2,4-triazin-3-amine

C11H20N4O — CID 105362436

IUPACN-(2-ethoxyethyl)-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCOCCNc1nnc(CC)c(CC)n1
InChIInChI=1S/C11H20N4O/c1-4-9-10(5-2)14-15-11(13-9)12-7-8-16-6-3/h4-8H2,1-3H3,(H,12,13,15)
InChIKeyZRCWNEXCZUPJRQ-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.44
Rot. Bonds7

About N-(2-ethoxyethyl)-5,6-diethyl-1,2,4-triazin-3-amine

N-(2-ethoxyethyl)-5,6-diethyl-1,2,4-triazin-3-amine (PubChem CID 105362436) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-5,6-diethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-5,6-diethyl-1,2,4-triazin-3-amine
PubChem CID105362436
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(2-ethoxyethyl)-5,6-diethyl-1,2,4-triazin-3-amine
SMILESCCOCCNc1nnc(CC)c(CC)n1
InChIInChI=1S/C11H20N4O/c1-4-9-10(5-2)14-15-11(13-9)12-7-8-16-6-3/h4-8H2,1-3H3,(H,12,13,15)
InChIKeyZRCWNEXCZUPJRQ-UHFFFAOYSA-N
XLogP1.44
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.44
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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Related Compounds

3-[(5,6-Diethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 102677457
5,6-diethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine
CID 105362384
5,6-diethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine
CID 105362627
5,6-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine
CID 105362647
N-(2,2-difluoroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362760
5,6-diethyl-N-(4,4,4-trifluorobutyl)-1,2,4-triazin-3-amine
CID 105362761
5,6-diethyl-N-(5,5,5-trifluoropentyl)-1,2,4-triazin-3-amine
CID 105362762
3-[(5,6-Diethyl-1,2,4-triazin-3-yl)amino]-1,1-difluoropropan-2-ol
CID 106544609
3-[(5,6-Diethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol
CID 106545027
N-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 106545889
N'-(5,6-diethyl-1,2,4-triazin-3-yl)-2,2-difluoropropane-1,3-diamine
CID 113707801
5,6-diethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine
CID 113847669

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-5,6-diethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-(2-ethoxyethyl)-5,6-diethyl-1,2,4-triazin-3-amine (CID 105362436) is N-(2-ethoxyethyl)-5,6-diethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-5,6-diethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2-ethoxyethyl)-5,6-diethyl-1,2,4-triazin-3-amine is CCOCCNc1nnc(CC)c(CC)n1.
What is the InChIKey of N-(2-ethoxyethyl)-5,6-diethyl-1,2,4-triazin-3-amine?
The InChIKey is ZRCWNEXCZUPJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-9-10(5-2)14-15-11(13-9)12-7-8-16-6-3/h4-8H2,1-3H3,(H,12,13,15).
What are the key properties of N-(2-ethoxyethyl)-5,6-diethyl-1,2,4-triazin-3-amine?
N-(2-ethoxyethyl)-5,6-diethyl-1,2,4-triazin-3-amine has a molecular weight of 224.31 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-5,6-diethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).