N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine

C11H15N5O — CID 54924068

IUPACN-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(-c2cnccn2)no1
InChIInChI=1S/C11H15N5O/c1-8(2)13-4-3-10-15-11(16-17-10)9-7-12-5-6-14-9/h5-8,13H,3-4H2,1-2H3
InChIKeyQKOFVXXUBRFRFU-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.07
Rot. Bonds5

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

N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine (PubChem CID 54924068) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
PubChem CID54924068
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC NameN-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(-c2cnccn2)no1
InChIInChI=1S/C11H15N5O/c1-8(2)13-4-3-10-15-11(16-17-10)9-7-12-5-6-14-9/h5-8,13H,3-4H2,1-2H3
InChIKeyQKOFVXXUBRFRFU-UHFFFAOYSA-N
XLogP1.07
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 54924115
(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63758301
N-[2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 103372758
N-propan-2-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 54924301
1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345918
N-[2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 107502081
3,3-dimethyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345917
N-[2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 106847387
4-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]aniline
CID 104503160
3-pyrazin-2-yl-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
CID 71974128
4-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 60836264
(1R)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93298235

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine (CID 54924068) is N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine is CC(C)NCCc1nc(-c2cnccn2)no1.
What is the InChIKey of N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The InChIKey is QKOFVXXUBRFRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8(2)13-4-3-10-15-11(16-17-10)9-7-12-5-6-14-9/h5-8,13H,3-4H2,1-2H3.
What are the key properties of N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine has a molecular weight of 233.27 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 54924068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).