1-[1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine

C11H12N6O2 — CID 114419614

IUPAC1-[1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine
SMILESCC(N)c1cn(Cc2nnc(-c3ccco3)o2)nn1
InChIInChI=1S/C11H12N6O2/c1-7(12)8-5-17(16-13-8)6-10-14-15-11(19-10)9-3-2-4-18-9/h2-5,7H,6,12H2,1H3
InChIKeyXGLYTGXZXOOHRV-UHFFFAOYSA-N
MW260.26 g/mol
LogP0.99
Rot. Bonds4

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

1-[1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine (PubChem CID 114419614) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-[1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine
PubChem CID114419614
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC Name1-[1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine
SMILESCC(N)c1cn(Cc2nnc(-c3ccco3)o2)nn1
InChIInChI=1S/C11H12N6O2/c1-7(12)8-5-17(16-13-8)6-10-14-15-11(19-10)9-3-2-4-18-9/h2-5,7H,6,12H2,1H3
InChIKeyXGLYTGXZXOOHRV-UHFFFAOYSA-N
XLogP0.99
TPSA108.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine with MolForge

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Related Compounds

2-(furan-2-yl)-5-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 53497956
(2R)-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylbutan-2-amine
CID 94023261
2-[[4-(1-bromoethyl)triazol-1-yl]methyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole
CID 81449360
5-[[4-(1-chloroethyl)triazol-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 81450014
2-(chloromethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 3689757
2-(bromomethyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 81222446
2-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 63873892
2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
CID 43090469
4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol
CID 114419757
1-[1-[(4-chlorophenyl)methyl]triazol-4-yl]ethanamine
CID 114419662
1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanamine
CID 114419617
1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 114419645

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine?
The IUPAC name of 1-[1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine (CID 114419614) is 1-[1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine is CC(N)c1cn(Cc2nnc(-c3ccco3)o2)nn1.
What is the InChIKey of 1-[1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine?
The InChIKey is XGLYTGXZXOOHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2/c1-7(12)8-5-17(16-13-8)6-10-14-15-11(19-10)9-3-2-4-18-9/h2-5,7H,6,12H2,1H3.
What are the key properties of 1-[1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine?
1-[1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine has a molecular weight of 260.26 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 114419614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).