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

C13H22N6O — CID 136521393

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]propan-2-amine
SMILESCc1nc(C(C)(C)NCc2ncnn2CC(C)C)no1
InChIInChI=1S/C13H22N6O/c1-9(2)7-19-11(14-8-16-19)6-15-13(4,5)12-17-10(3)20-18-12/h8-9,15H,6-7H2,1-5H3
InChIKeyQEZJNXQHNLCITK-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.65
Rot. Bonds6

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

2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]propan-2-amine (PubChem CID 136521393) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]propan-2-amine
PubChem CID136521393
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]propan-2-amine
SMILESCc1nc(C(C)(C)NCc2ncnn2CC(C)C)no1
InChIInChI=1S/C13H22N6O/c1-9(2)7-19-11(14-8-16-19)6-15-13(4,5)12-17-10(3)20-18-12/h8-9,15H,6-7H2,1-5H3
InChIKeyQEZJNXQHNLCITK-UHFFFAOYSA-N
XLogP1.65
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]propan-2-amine (CID 136521393) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]propan-2-amine is Cc1nc(C(C)(C)NCc2ncnn2CC(C)C)no1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]propan-2-amine?
The InChIKey is QEZJNXQHNLCITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-9(2)7-19-11(14-8-16-19)6-15-13(4,5)12-17-10(3)20-18-12/h8-9,15H,6-7H2,1-5H3.
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]propan-2-amine?
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]propan-2-amine has a molecular weight of 278.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 136521393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).