1-(2-hydroxyethyl)-3-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one

C12H11N5O2 — CID 71589127

IUPAC1-(2-hydroxyethyl)-3-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
SMILESO=c1c(-c2ccccc2)nn(CCO)c2ncnn12
InChIInChI=1S/C12H11N5O2/c18-7-6-16-12-13-8-14-17(12)11(19)10(15-16)9-4-2-1-3-5-9/h1-5,8,18H,6-7H2
InChIKeyAFUISEFEZPQHQY-UHFFFAOYSA-N
MW257.25 g/mol
LogP-0.05
Rot. Bonds3

About 1-(2-hydroxyethyl)-3-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one

1-(2-hydroxyethyl)-3-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one (PubChem CID 71589127) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
PubChem CID71589127
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name1-(2-hydroxyethyl)-3-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
SMILESO=c1c(-c2ccccc2)nn(CCO)c2ncnn12
InChIInChI=1S/C12H11N5O2/c18-7-6-16-12-13-8-14-17(12)11(19)10(15-16)9-4-2-1-3-5-9/h1-5,8,18H,6-7H2
InChIKeyAFUISEFEZPQHQY-UHFFFAOYSA-N
XLogP-0.05
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 46702857
CID 46702857
CID 46703180
CID 46703180
CID 50908728
CID 50908728
CID 71589124
CID 71589124
CID 71589125
CID 71589125
CID 71589126
CID 71589126
CID 71589128
CID 71589128
CID 71589129
CID 71589129
CID 71589134
CID 71589134
CID 71589222
CID 71589222

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one?
The IUPAC name of 1-(2-hydroxyethyl)-3-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one (CID 71589127) is 1-(2-hydroxyethyl)-3-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 1-(2-hydroxyethyl)-3-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one is O=c1c(-c2ccccc2)nn(CCO)c2ncnn12.
What is the InChIKey of 1-(2-hydroxyethyl)-3-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one?
The InChIKey is AFUISEFEZPQHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c18-7-6-16-12-13-8-14-17(12)11(19)10(15-16)9-4-2-1-3-5-9/h1-5,8,18H,6-7H2.
What are the key properties of 1-(2-hydroxyethyl)-3-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one?
1-(2-hydroxyethyl)-3-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one has a molecular weight of 257.25 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-phenyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 71589127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).