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

C10H16N6O — CID 62054118

IUPAC[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]methanamine
SMILESCC(C)(C)c1nnc(Cn2cc(CN)nn2)o1
InChIInChI=1S/C10H16N6O/c1-10(2,3)9-14-13-8(17-9)6-16-5-7(4-11)12-15-16/h5H,4,6,11H2,1-3H3
InChIKeyMQXQVDAOBAHFNO-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.47
Rot. Bonds3

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

[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]methanamine (PubChem CID 62054118) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is [1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]methanamine
PubChem CID62054118
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]methanamine
SMILESCC(C)(C)c1nnc(Cn2cc(CN)nn2)o1
InChIInChI=1S/C10H16N6O/c1-10(2,3)9-14-13-8(17-9)6-16-5-7(4-11)12-15-16/h5H,4,6,11H2,1-3H3
InChIKeyMQXQVDAOBAHFNO-UHFFFAOYSA-N
XLogP0.47
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]methanamine (CID 62054118) is [1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]methanamine is CC(C)(C)c1nnc(Cn2cc(CN)nn2)o1.
What is the InChIKey of [1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]methanamine?
The InChIKey is MQXQVDAOBAHFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-10(2,3)9-14-13-8(17-9)6-16-5-7(4-11)12-15-16/h5H,4,6,11H2,1-3H3.
What are the key properties of [1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]methanamine?
[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]methanamine has a molecular weight of 236.28 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 62054118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).