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

C13H25N5O — CID 114538081

IUPAC2-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC1CN(Cc2nc(C(C)(C)N)no2)CC(C)N1C
InChIInChI=1S/C13H25N5O/c1-9-6-18(7-10(2)17(9)5)8-11-15-12(16-19-11)13(3,4)14/h9-10H,6-8,14H2,1-5H3
InChIKeyIDEKFFRLGZFZGB-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.79
Rot. Bonds3

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

2-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 114538081) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID114538081
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name2-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC1CN(Cc2nc(C(C)(C)N)no2)CC(C)N1C
InChIInChI=1S/C13H25N5O/c1-9-6-18(7-10(2)17(9)5)8-11-15-12(16-19-11)13(3,4)14/h9-10H,6-8,14H2,1-5H3
InChIKeyIDEKFFRLGZFZGB-UHFFFAOYSA-N
XLogP0.79
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 114538081) is 2-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is CC1CN(Cc2nc(C(C)(C)N)no2)CC(C)N1C.
What is the InChIKey of 2-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is IDEKFFRLGZFZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-9-6-18(7-10(2)17(9)5)8-11-15-12(16-19-11)13(3,4)14/h9-10H,6-8,14H2,1-5H3.
What are the key properties of 2-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 267.38 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 114538081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).