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

C12H20N6O — CID 66194073

IUPACN-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2noc(C(C)(C)C)n2)nn1
InChIInChI=1S/C12H20N6O/c1-5-13-6-9-7-18(17-15-9)8-10-14-11(19-16-10)12(2,3)4/h7,13H,5-6,8H2,1-4H3
InChIKeyRYSQSDFRRGEEAH-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.12
Rot. Bonds5

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

N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]ethanamine (PubChem CID 66194073) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]ethanamine
PubChem CID66194073
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC NameN-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2noc(C(C)(C)C)n2)nn1
InChIInChI=1S/C12H20N6O/c1-5-13-6-9-7-18(17-15-9)8-10-14-11(19-16-10)12(2,3)4/h7,13H,5-6,8H2,1-4H3
InChIKeyRYSQSDFRRGEEAH-UHFFFAOYSA-N
XLogP1.12
TPSA81.66 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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-isopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[(1-methyl-1H-imidazol-5-yl)methyl]methanamine
CID 56712179
N-[(1-ethyl-1H-imidazol-5-yl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 91837460
N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrazol-4-amine
CID 97832516
N-ethyl-N'-[(1-ethyl-1H-imidazol-5-yl)methyl]-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 122561878
[1-[[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 82007867
[1-[[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 113313958
[1-[[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458361
5-[(1S,2S)-2-fluorocyclopropyl]-3-(1-methyltriazol-4-yl)-1,2,4-oxadiazole
CID 167887039
5-Ethyl-3-(1-propyltriazol-4-yl)-1,2,4-oxadiazole
CID 146448592
5-Ethyl-3-(1-ethyltriazol-4-yl)-1,2,4-oxadiazole
CID 146448711
[1-[2-(5-Methyl-1,2,4-oxadiazol-3-yl)ethyl]triazol-4-yl]methanamine
CID 169138659
N-(1H-imidazol-4-ylmethyl)-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 46988424

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]ethanamine (CID 66194073) is N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]ethanamine is CCNCc1cn(Cc2noc(C(C)(C)C)n2)nn1.
What is the InChIKey of N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is RYSQSDFRRGEEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-5-13-6-9-7-18(17-15-9)8-10-14-11(19-16-10)12(2,3)4/h7,13H,5-6,8H2,1-4H3.
What are the key properties of N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]ethanamine?
N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 264.33 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66194073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).