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

C15H23N5O — CID 61352329

IUPAC3-methyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCc1nn(C)c(C)c1-c1nc(C2(N)CCCC(C)C2)no1
InChIInChI=1S/C15H23N5O/c1-9-6-5-7-15(16,8-9)14-17-13(21-19-14)12-10(2)18-20(4)11(12)3/h9H,5-8,16H2,1-4H3
InChIKeyWPUJQGHRAFZZAW-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.45
Rot. Bonds2

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

3-methyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (PubChem CID 61352329) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-methyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
PubChem CID61352329
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name3-methyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCc1nn(C)c(C)c1-c1nc(C2(N)CCCC(C)C2)no1
InChIInChI=1S/C15H23N5O/c1-9-6-5-7-15(16,8-9)14-17-13(21-19-14)12-10(2)18-20(4)11(12)3/h9H,5-8,16H2,1-4H3
InChIKeyWPUJQGHRAFZZAW-UHFFFAOYSA-N
XLogP2.45
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (CID 61352329) is 3-methyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is Cc1nn(C)c(C)c1-c1nc(C2(N)CCCC(C)C2)no1.
What is the InChIKey of 3-methyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The InChIKey is WPUJQGHRAFZZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-9-6-5-7-15(16,8-9)14-17-13(21-19-14)12-10(2)18-20(4)11(12)3/h9H,5-8,16H2,1-4H3.
What are the key properties of 3-methyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
3-methyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 61352329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).