N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

C16H26N6O — CID 75535513

IUPACN-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCC(NC(C)c1nnc2n1CCCC2)c1nc(C(C)(C)C)no1
InChIInChI=1S/C16H26N6O/c1-10(13-20-19-12-8-6-7-9-22(12)13)17-11(2)14-18-15(21-23-14)16(3,4)5/h10-11,17H,6-9H2,1-5H3
InChIKeyZKVBKQROGWIYBN-UHFFFAOYSA-N
MW318.43 g/mol
LogP2.71
Rot. Bonds4

About N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (PubChem CID 75535513) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
PubChem CID75535513
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC NameN-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCC(NC(C)c1nnc2n1CCCC2)c1nc(C(C)(C)C)no1
InChIInChI=1S/C16H26N6O/c1-10(13-20-19-12-8-6-7-9-22(12)13)17-11(2)14-18-15(21-23-14)16(3,4)5/h10-11,17H,6-9H2,1-5H3
InChIKeyZKVBKQROGWIYBN-UHFFFAOYSA-N
XLogP2.71
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine with MolForge

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Related Compounds

(1S)-N-[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 96511930
2,2-dimethyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]propan-1-amine
CID 61325147
N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]pentan-2-amine
CID 43746948
1-(5-methylfuran-2-yl)-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]ethanamine
CID 43746959
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pentan-3-amine
CID 43748148
1-cyclopropyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine
CID 43748151
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,1-difluoropropan-2-amine
CID 102869005
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-phenylethanamine
CID 43748158
N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]hexan-3-amine
CID 103920945
tert-butyl (2R)-2-[[(1S)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]amino]propanoate
CID 124737239
N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]cyclohexanamine
CID 43746944
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(4-ethylphenyl)ethanamine
CID 43748123

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The IUPAC name of N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (CID 75535513) is N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.
What is the SMILES notation for N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The canonical SMILES for N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is CC(NC(C)c1nnc2n1CCCC2)c1nc(C(C)(C)C)no1.
What is the InChIKey of N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The InChIKey is ZKVBKQROGWIYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-10(13-20-19-12-8-6-7-9-22(12)13)17-11(2)14-18-15(21-23-14)16(3,4)5/h10-11,17H,6-9H2,1-5H3.
What are the key properties of N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine has a molecular weight of 318.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is sourced from PubChem (CID 75535513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).