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

C13H22N6O — CID 106229633

IUPAC1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]butan-1-amine
SMILESCCCC(N)c1cn(Cc2nnc(C(C)(C)C)o2)nn1
InChIInChI=1S/C13H22N6O/c1-5-6-9(14)10-7-19(18-15-10)8-11-16-17-12(20-11)13(2,3)4/h7,9H,5-6,8,14H2,1-4H3
InChIKeyRVSABOWSPIVQEZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.81
Rot. Bonds5

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

1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]butan-1-amine (PubChem CID 106229633) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]butan-1-amine
PubChem CID106229633
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]butan-1-amine
SMILESCCCC(N)c1cn(Cc2nnc(C(C)(C)C)o2)nn1
InChIInChI=1S/C13H22N6O/c1-5-6-9(14)10-7-19(18-15-10)8-11-16-17-12(20-11)13(2,3)4/h7,9H,5-6,8,14H2,1-4H3
InChIKeyRVSABOWSPIVQEZ-UHFFFAOYSA-N
XLogP1.81
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol
CID 81444773
2-tert-butyl-5-[[4-(1-chloroethyl)triazol-1-yl]methyl]-1,3,4-oxadiazole
CID 81450000
1-[1-[(5-ethylthiophen-2-yl)methyl]triazol-4-yl]butan-1-amine
CID 114161205
2-[[4-(bromomethyl)triazol-1-yl]methyl]-5-tert-butyl-1,3,4-oxadiazole
CID 62400109
2-amino-3-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propanoic acid
CID 116734983
1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-1-amine
CID 106229354
1-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]triazol-4-yl]butan-1-amine
CID 114161127
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazole-4-carboxylic acid
CID 62060734
1-(1-pentyltriazol-4-yl)butan-1-amine
CID 106228799
1-[1-[(2-bromophenyl)methyl]triazol-4-yl]butan-1-amine
CID 114161233
1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine
CID 106228916
1-[1-[(6-methyl-2-pyridinyl)methyl]triazol-4-yl]butan-1-amine
CID 106229058

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]butan-1-amine?
The IUPAC name of 1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]butan-1-amine (CID 106229633) is 1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]butan-1-amine.
What is the SMILES notation for 1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]butan-1-amine?
The canonical SMILES for 1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]butan-1-amine is CCCC(N)c1cn(Cc2nnc(C(C)(C)C)o2)nn1.
What is the InChIKey of 1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]butan-1-amine?
The InChIKey is RVSABOWSPIVQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-5-6-9(14)10-7-19(18-15-10)8-11-16-17-12(20-11)13(2,3)4/h7,9H,5-6,8,14H2,1-4H3.
What are the key properties of 1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]butan-1-amine?
1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]butan-1-amine has a molecular weight of 278.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]butan-1-amine is sourced from PubChem (CID 106229633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).