1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-ethylazetidin-3-ol

C10H16N4O — CID 114787389

IUPAC1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-ethylazetidin-3-ol
SMILESCCC1(O)CN(c2nnc(C)c(C)n2)C1
InChIInChI=1S/C10H16N4O/c1-4-10(15)5-14(6-10)9-11-7(2)8(3)12-13-9/h15H,4-6H2,1-3H3
InChIKeyWDACBUHEZBOMBK-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.45
Rot. Bonds2

About 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-ethylazetidin-3-ol

1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-ethylazetidin-3-ol (PubChem CID 114787389) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-ethylazetidin-3-ol.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-ethylazetidin-3-ol
PubChem CID114787389
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-ethylazetidin-3-ol
SMILESCCC1(O)CN(c2nnc(C)c(C)n2)C1
InChIInChI=1S/C10H16N4O/c1-4-10(15)5-14(6-10)9-11-7(2)8(3)12-13-9/h15H,4-6H2,1-3H3
InChIKeyWDACBUHEZBOMBK-UHFFFAOYSA-N
XLogP0.45
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-ethylazetidin-3-ol?
The IUPAC name of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-ethylazetidin-3-ol (CID 114787389) is 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-ethylazetidin-3-ol.
What is the SMILES notation for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-ethylazetidin-3-ol?
The canonical SMILES for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-ethylazetidin-3-ol is CCC1(O)CN(c2nnc(C)c(C)n2)C1.
What is the InChIKey of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-ethylazetidin-3-ol?
The InChIKey is WDACBUHEZBOMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-4-10(15)5-14(6-10)9-11-7(2)8(3)12-13-9/h15H,4-6H2,1-3H3.
What are the key properties of 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-ethylazetidin-3-ol?
1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-ethylazetidin-3-ol has a molecular weight of 208.26 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-ethylazetidin-3-ol is sourced from PubChem (CID 114787389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).