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

C12H20N6O — CID 66193228

IUPACN-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1nc(Cn2cc(CNC(C)(C)C)nn2)no1
InChIInChI=1S/C12H20N6O/c1-5-11-14-10(16-19-11)8-18-7-9(15-17-18)6-13-12(2,3)4/h7,13H,5-6,8H2,1-4H3
InChIKeyBZFFYVLQRHVSJF-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.16
Rot. Bonds5

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

N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 66193228) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID66193228
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC NameN-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1nc(Cn2cc(CNC(C)(C)C)nn2)no1
InChIInChI=1S/C12H20N6O/c1-5-11-14-10(16-19-11)8-18-7-9(15-17-18)6-13-12(2,3)4/h7,13H,5-6,8H2,1-4H3
InChIKeyBZFFYVLQRHVSJF-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

N-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66194236
N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66194073
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 66406190
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine
CID 62055902
3-[[4-(1-bromoethyl)triazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
CID 81448656
1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanamine
CID 114420018
3-[[4-(1-chloroethyl)triazol-1-yl]methyl]-5-ethyl-1,2,4-oxadiazole
CID 81449381
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanol
CID 62399582
N-[[5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79783462
N-[[1-(furan-3-ylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 83182735
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 112645383
5-[[4-(2-chloroethyl)triazol-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 62399895

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine (CID 66193228) is N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine is CCc1nc(Cn2cc(CNC(C)(C)C)nn2)no1.
What is the InChIKey of N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is BZFFYVLQRHVSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-5-11-14-10(16-19-11)8-18-7-9(15-17-18)6-13-12(2,3)4/h7,13H,5-6,8H2,1-4H3.
What are the key properties of N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 264.33 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66193228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).