(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(1,5-dimethylpyrazol-4-yl)methanamine

C12H19N5O — CID 79584945

IUPAC(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(1,5-dimethylpyrazol-4-yl)methanamine
SMILESCc1c(C(N)c2noc(C(C)(C)C)n2)cnn1C
InChIInChI=1S/C12H19N5O/c1-7-8(6-14-17(7)5)9(13)10-15-11(18-16-10)12(2,3)4/h6,9H,13H2,1-5H3
InChIKeyWADXXGJFKQBFJG-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.46
Rot. Bonds2

About (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(1,5-dimethylpyrazol-4-yl)methanamine

(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(1,5-dimethylpyrazol-4-yl)methanamine (PubChem CID 79584945) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(1,5-dimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(1,5-dimethylpyrazol-4-yl)methanamine
PubChem CID79584945
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(1,5-dimethylpyrazol-4-yl)methanamine
SMILESCc1c(C(N)c2noc(C(C)(C)C)n2)cnn1C
InChIInChI=1S/C12H19N5O/c1-7-8(6-14-17(7)5)9(13)10-15-11(18-16-10)12(2,3)4/h6,9H,13H2,1-5H3
InChIKeyWADXXGJFKQBFJG-UHFFFAOYSA-N
XLogP1.46
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(1,5-dimethylpyrazol-4-yl)methanamine?
The IUPAC name of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(1,5-dimethylpyrazol-4-yl)methanamine (CID 79584945) is (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(1,5-dimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(1,5-dimethylpyrazol-4-yl)methanamine?
The canonical SMILES for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(1,5-dimethylpyrazol-4-yl)methanamine is Cc1c(C(N)c2noc(C(C)(C)C)n2)cnn1C.
What is the InChIKey of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(1,5-dimethylpyrazol-4-yl)methanamine?
The InChIKey is WADXXGJFKQBFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-7-8(6-14-17(7)5)9(13)10-15-11(18-16-10)12(2,3)4/h6,9H,13H2,1-5H3.
What are the key properties of (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(1,5-dimethylpyrazol-4-yl)methanamine?
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(1,5-dimethylpyrazol-4-yl)methanamine has a molecular weight of 249.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,2,4-oxadiazol-3-yl)-(1,5-dimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 79584945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).