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

C12H22N4O — CID 105362576

IUPAC5,6-diethyl-N-(3-methoxy-2-methylpropyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCC(C)COC)nc1CC
InChIInChI=1S/C12H22N4O/c1-5-10-11(6-2)15-16-12(14-10)13-7-9(3)8-17-4/h9H,5-8H2,1-4H3,(H,13,14,16)
InChIKeyUBZJGLHYTSPQNV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.69
Rot. Bonds7

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

5,6-diethyl-N-(3-methoxy-2-methylpropyl)-1,2,4-triazin-3-amine (PubChem CID 105362576) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5,6-diethyl-N-(3-methoxy-2-methylpropyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-diethyl-N-(3-methoxy-2-methylpropyl)-1,2,4-triazin-3-amine
PubChem CID105362576
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5,6-diethyl-N-(3-methoxy-2-methylpropyl)-1,2,4-triazin-3-amine
SMILESCCc1nnc(NCC(C)COC)nc1CC
InChIInChI=1S/C12H22N4O/c1-5-10-11(6-2)15-16-12(14-10)13-7-9(3)8-17-4/h9H,5-8H2,1-4H3,(H,13,14,16)
InChIKeyUBZJGLHYTSPQNV-UHFFFAOYSA-N
XLogP1.69
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(5,6-Diethyl-1,2,4-triazin-3-yl)amino]cyclohexyl]methanol
CID 86804870
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
5,6-diethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine
CID 106294030
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'-(5,6-diethyl-1,2,4-triazin-3-yl)-2,2-difluoropropane-1,3-diamine
CID 113707801

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-N-(3-methoxy-2-methylpropyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-diethyl-N-(3-methoxy-2-methylpropyl)-1,2,4-triazin-3-amine (CID 105362576) is 5,6-diethyl-N-(3-methoxy-2-methylpropyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-diethyl-N-(3-methoxy-2-methylpropyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-diethyl-N-(3-methoxy-2-methylpropyl)-1,2,4-triazin-3-amine is CCc1nnc(NCC(C)COC)nc1CC.
What is the InChIKey of 5,6-diethyl-N-(3-methoxy-2-methylpropyl)-1,2,4-triazin-3-amine?
The InChIKey is UBZJGLHYTSPQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-10-11(6-2)15-16-12(14-10)13-7-9(3)8-17-4/h9H,5-8H2,1-4H3,(H,13,14,16).
What are the key properties of 5,6-diethyl-N-(3-methoxy-2-methylpropyl)-1,2,4-triazin-3-amine?
5,6-diethyl-N-(3-methoxy-2-methylpropyl)-1,2,4-triazin-3-amine has a molecular weight of 238.33 g/mol, XLogP of 1.69, 7 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-methoxy-2-methylpropyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 105362576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).