1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine

C11H10N6O — CID 79531091

IUPAC1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
SMILESNc1cn(Cc2nnc(-c3ccccc3)o2)nn1
InChIInChI=1S/C11H10N6O/c12-9-6-17(16-13-9)7-10-14-15-11(18-10)8-4-2-1-3-5-8/h1-6H,7,12H2
InChIKeyZRGDSYGXIYPAKI-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.96
Rot. Bonds3

About 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine

1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine (PubChem CID 79531091) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
PubChem CID79531091
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
SMILESNc1cn(Cc2nnc(-c3ccccc3)o2)nn1
InChIInChI=1S/C11H10N6O/c12-9-6-17(16-13-9)7-10-14-15-11(18-10)8-4-2-1-3-5-8/h1-6H,7,12H2
InChIKeyZRGDSYGXIYPAKI-UHFFFAOYSA-N
XLogP0.96
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(bromomethyl)triazol-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 55071823
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
CID 79530372
2-[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine
CID 116641871
2-[(4-nitropyrazol-1-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 19542358
2-[1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine
CID 116641747
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
1-[(2-phenyl-1,3-thiazol-4-yl)methyl]triazol-4-amine
CID 79530510
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine
CID 84671547
1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid
CID 55135948
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine
CID 79530204

Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine?
The IUPAC name of 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine (CID 79531091) is 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine.
What is the SMILES notation for 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine?
The canonical SMILES for 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine is Nc1cn(Cc2nnc(-c3ccccc3)o2)nn1.
What is the InChIKey of 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine?
The InChIKey is ZRGDSYGXIYPAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c12-9-6-17(16-13-9)7-10-14-15-11(18-10)8-4-2-1-3-5-8/h1-6H,7,12H2.
What are the key properties of 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine?
1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine has a molecular weight of 242.24 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79531091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).