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

C12H20N6O — CID 103527111

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCc1nc(CCNCc2cn(C(C)(C)C)nn2)no1
InChIInChI=1S/C12H20N6O/c1-9-14-11(16-19-9)5-6-13-7-10-8-18(17-15-10)12(2,3)4/h8,13H,5-7H2,1-4H3
InChIKeyAJSCMAVJXLCUNQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.06
Rot. Bonds5

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

N-[(1-tert-butyltriazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 103527111) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID103527111
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCc1nc(CCNCc2cn(C(C)(C)C)nn2)no1
InChIInChI=1S/C12H20N6O/c1-9-14-11(16-19-9)5-6-13-7-10-8-18(17-15-10)12(2,3)4/h8,13H,5-7H2,1-4H3
InChIKeyAJSCMAVJXLCUNQ-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-tert-butyltriazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 103399092
N-[(1-tert-butyltriazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103399091
3-[(1-tert-butyltriazol-4-yl)methylamino]propanenitrile
CID 103398646
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 106413859
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 106415872
[4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol
CID 114186023
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
N-[(5-tert-butylthiophen-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 103816282
N-[(1-tert-butyltriazol-4-yl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 103399101
1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol
CID 103399417
N-[(1-tert-butyltriazol-4-yl)methyl]-3-phenylbutan-1-amine
CID 103399083
3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 103790275

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine (CID 103527111) is N-[(1-tert-butyltriazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine is Cc1nc(CCNCc2cn(C(C)(C)C)nn2)no1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is AJSCMAVJXLCUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-9-14-11(16-19-9)5-6-13-7-10-8-18(17-15-10)12(2,3)4/h8,13H,5-7H2,1-4H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
N-[(1-tert-butyltriazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 264.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 103527111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).