2-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanamine

C7H10N6O — CID 116642062

IUPAC2-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanamine
SMILESNCCc1cn(Cc2ncon2)nn1
InChIInChI=1S/C7H10N6O/c8-2-1-6-3-13(12-10-6)4-7-9-5-14-11-7/h3,5H,1-2,4,8H2
InChIKeyYMIUYAOZFVNNMM-UHFFFAOYSA-N
MW194.20 g/mol
LogP-0.79
Rot. Bonds4

About 2-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanamine

2-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanamine (PubChem CID 116642062) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanamine
PubChem CID116642062
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name2-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanamine
SMILESNCCc1cn(Cc2ncon2)nn1
InChIInChI=1S/C7H10N6O/c8-2-1-6-3-13(12-10-6)4-7-9-5-14-11-7/h3,5H,1-2,4,8H2
InChIKeyYMIUYAOZFVNNMM-UHFFFAOYSA-N
XLogP-0.79
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-(2-chloroethyl)triazol-1-yl]methyl]-1,2,4-oxadiazole
CID 62399532
2-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]triazol-4-yl]ethanamine
CID 116641837
2-(1-benzyltriazol-4-yl)ethanamine
CID 83638080
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 116641942
2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine
CID 116642361
5-(2-aminoethyl)-1-(1,2,4-oxadiazol-3-ylmethyl)triazole-4-carboxylic acid
CID 103119448
2-[1-[(5-nitrofuran-2-yl)methyl]triazol-4-yl]ethanamine
CID 116641950
2-[1-[(5-phenyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanamine
CID 116641989
2-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]ethanamine
CID 116641967
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 116642059
2-[1-(3,3,3-trifluoropropyl)triazol-4-yl]ethanamine
CID 116642242
2-(1-pentyltriazol-4-yl)ethanamine
CID 116641934

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanamine (CID 116642062) is 2-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanamine is NCCc1cn(Cc2ncon2)nn1.
What is the InChIKey of 2-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanamine?
The InChIKey is YMIUYAOZFVNNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c8-2-1-6-3-13(12-10-6)4-7-9-5-14-11-7/h3,5H,1-2,4,8H2.
What are the key properties of 2-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanamine?
2-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanamine has a molecular weight of 194.20 g/mol, XLogP of -0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2,4-oxadiazol-3-ylmethyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 116642062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).