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

C12H20N6O — CID 79542064

IUPAC1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-5-propan-2-yltriazol-4-amine
SMILESCC(C)c1c(N)nnn1Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C12H20N6O/c1-7(2)9-10(13)15-17-18(9)6-8-14-16-11(19-8)12(3,4)5/h7H,6,13H2,1-5H3
InChIKeyTYJNQRHOAJPHDX-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.71
Rot. Bonds3

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

1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-5-propan-2-yltriazol-4-amine (PubChem CID 79542064) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-5-propan-2-yltriazol-4-amine.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-5-propan-2-yltriazol-4-amine
PubChem CID79542064
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-5-propan-2-yltriazol-4-amine
SMILESCC(C)c1c(N)nnn1Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C12H20N6O/c1-7(2)9-10(13)15-17-18(9)6-8-14-16-11(19-8)12(3,4)5/h7H,6,13H2,1-5H3
InChIKeyTYJNQRHOAJPHDX-UHFFFAOYSA-N
XLogP1.71
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.71
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]-5-propan-2-yltriazol-4-amine?
The IUPAC name of 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-5-propan-2-yltriazol-4-amine (CID 79542064) is 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-5-propan-2-yltriazol-4-amine.
What is the SMILES notation for 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-5-propan-2-yltriazol-4-amine?
The canonical SMILES for 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-5-propan-2-yltriazol-4-amine is CC(C)c1c(N)nnn1Cc1nnc(C(C)(C)C)o1.
What is the InChIKey of 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-5-propan-2-yltriazol-4-amine?
The InChIKey is TYJNQRHOAJPHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-7(2)9-10(13)15-17-18(9)6-8-14-16-11(19-8)12(3,4)5/h7H,6,13H2,1-5H3.
What are the key properties of 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-5-propan-2-yltriazol-4-amine?
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-5-propan-2-yltriazol-4-amine has a molecular weight of 264.33 g/mol, XLogP of 1.71, 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]-5-propan-2-yltriazol-4-amine is sourced from PubChem (CID 79542064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).