2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

C12H19N5O — CID 113229290

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nc(CCNCc2c(C)nn(C)c2C)no1
InChIInChI=1S/C12H19N5O/c1-8-11(9(2)17(4)15-8)7-13-6-5-12-14-10(3)18-16-12/h13H,5-7H2,1-4H3
InChIKeyKTWJOAKDPIXHPG-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.06
Rot. Bonds5

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

2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 113229290) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID113229290
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nc(CCNCc2c(C)nn(C)c2C)no1
InChIInChI=1S/C12H19N5O/c1-8-11(9(2)17(4)15-8)7-13-6-5-12-14-10(3)18-16-12/h13H,5-7H2,1-4H3
InChIKeyKTWJOAKDPIXHPG-UHFFFAOYSA-N
XLogP1.06
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 113229292
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 114186077
2-(1,2,4-oxadiazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 113253278
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 107234184
3,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-1-amine
CID 112727542
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]octan-1-amine
CID 78911426
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 106415872
2-pyrrolidin-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 28654112
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 114185716
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pent-4-en-1-amine
CID 78993034
N'-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 113410291
2-(cyclohexen-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 28620947

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (CID 113229290) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is Cc1nc(CCNCc2c(C)nn(C)c2C)no1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is KTWJOAKDPIXHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-8-11(9(2)17(4)15-8)7-13-6-5-12-14-10(3)18-16-12/h13H,5-7H2,1-4H3.
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 249.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 113229290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).