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

C12H20N6O — CID 106220931

IUPAC3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine
SMILESCC(C)(C)c1noc(Cn2cc(CCCN)nn2)n1
InChIInChI=1S/C12H20N6O/c1-12(2,3)11-14-10(19-16-11)8-18-7-9(15-17-18)5-4-6-13/h7H,4-6,8,13H2,1-3H3
InChIKeyLXSIZVHWJKSYJM-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.90
Rot. Bonds5

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

3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine (PubChem CID 106220931) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine
PubChem CID106220931
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine
SMILESCC(C)(C)c1noc(Cn2cc(CCCN)nn2)n1
InChIInChI=1S/C12H20N6O/c1-12(2,3)11-14-10(19-16-11)8-18-7-9(15-17-18)5-4-6-13/h7H,4-6,8,13H2,1-3H3
InChIKeyLXSIZVHWJKSYJM-UHFFFAOYSA-N
XLogP0.90
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
CID 79531096
[1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 113313968
3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-amine
CID 106221077
3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazol-4-yl]propan-1-amine
CID 106220856
4-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]butan-1-amine
CID 104539212
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine
CID 62055902
3-[1-(1,2-oxazol-5-ylmethyl)triazol-4-yl]propan-1-amine
CID 106220716
3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine
CID 114160081
5-[[4-(3-aminopropyl)triazol-1-yl]methyl]benzene-1,2,3-triol
CID 130446104
(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 46736960
3-[1-[(1-ethylpyrazol-4-yl)methyl]triazol-4-yl]propan-1-amine
CID 114160006
[1-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 116703915

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine (CID 106220931) is 3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine is CC(C)(C)c1noc(Cn2cc(CCCN)nn2)n1.
What is the InChIKey of 3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine?
The InChIKey is LXSIZVHWJKSYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-12(2,3)11-14-10(19-16-11)8-18-7-9(15-17-18)5-4-6-13/h7H,4-6,8,13H2,1-3H3.
What are the key properties of 3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine?
3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine has a molecular weight of 264.33 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106220931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).