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

C9H14N6O — CID 79530367

IUPAC1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine
SMILESCC(C)(C)c1nc(Cn2cc(N)nn2)no1
InChIInChI=1S/C9H14N6O/c1-9(2,3)8-11-7(13-16-8)5-15-4-6(10)12-14-15/h4H,5,10H2,1-3H3
InChIKeyGNZAYOSKDWSFQQ-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.59
Rot. Bonds2

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

1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine (PubChem CID 79530367) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine
PubChem CID79530367
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine
SMILESCC(C)(C)c1nc(Cn2cc(N)nn2)no1
InChIInChI=1S/C9H14N6O/c1-9(2,3)8-11-7(13-16-8)5-15-4-6(10)12-14-15/h4H,5,10H2,1-3H3
InChIKeyGNZAYOSKDWSFQQ-UHFFFAOYSA-N
XLogP0.59
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66194073
2-amino-3-[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propanoic acid
CID 116735035
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
CID 79531096
N-[[1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2,6-dimethylaniline
CID 154740339
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
CID 79529452
1-[(5-methylpyrimidin-2-yl)methyl]triazol-4-amine
CID 165473092
(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanethiol
CID 151668705
5-tert-butyl-3-(fluoromethyl)-1,2,4-oxadiazole
CID 176864350
2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-2-amine
CID 63999534
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanamine
CID 114419523
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119908645
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
CID 79530372

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine?
The IUPAC name of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine (CID 79530367) is 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine.
What is the SMILES notation for 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine?
The canonical SMILES for 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine is CC(C)(C)c1nc(Cn2cc(N)nn2)no1.
What is the InChIKey of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine?
The InChIKey is GNZAYOSKDWSFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-9(2,3)8-11-7(13-16-8)5-15-4-6(10)12-14-15/h4H,5,10H2,1-3H3.
What are the key properties of 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine?
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine has a molecular weight of 222.25 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79530367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).