2-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C11H17N5O — CID 61325691

IUPAC2-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCc1nn(C)c(C)c1-c1nc(C(C)(C)N)no1
InChIInChI=1S/C11H17N5O/c1-6-8(7(2)16(5)14-6)9-13-10(15-17-9)11(3,4)12/h12H2,1-5H3
InChIKeyFWQXTIGYBSSRMX-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.28
Rot. Bonds2

About 2-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

2-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 61325691) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID61325691
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCc1nn(C)c(C)c1-c1nc(C(C)(C)N)no1
InChIInChI=1S/C11H17N5O/c1-6-8(7(2)16(5)14-6)9-13-10(15-17-9)11(3,4)12/h12H2,1-5H3
InChIKeyFWQXTIGYBSSRMX-UHFFFAOYSA-N
XLogP1.28
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 61325691) is 2-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is Cc1nn(C)c(C)c1-c1nc(C(C)(C)N)no1.
What is the InChIKey of 2-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is FWQXTIGYBSSRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-6-8(7(2)16(5)14-6)9-13-10(15-17-9)11(3,4)12/h12H2,1-5H3.
What are the key properties of 2-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 235.29 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 61325691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).