1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine

C11H14N6O — CID 110277887

IUPAC1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine
SMILESNC1CCN(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C11H14N6O/c12-8-1-4-17(6-8)7-10-15-11(16-18-10)9-5-13-2-3-14-9/h2-3,5,8H,1,4,6-7,12H2
InChIKeySSJDZPPMZJYHJH-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.06
Rot. Bonds3

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

1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine (PubChem CID 110277887) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine
PubChem CID110277887
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine
SMILESNC1CCN(Cc2nc(-c3cnccn3)no2)C1
InChIInChI=1S/C11H14N6O/c12-8-1-4-17(6-8)7-10-15-11(16-18-10)9-5-13-2-3-14-9/h2-3,5,8H,1,4,6-7,12H2
InChIKeySSJDZPPMZJYHJH-UHFFFAOYSA-N
XLogP0.06
TPSA93.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 42521587
(3R)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905454
(3S)-1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
CID 71644033
3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 86805292
1-(pyrazin-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 71644418
(3S)-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933666
(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63758301
N-cyclopropylsulfanyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 134354986
ethyl 2-[(2R)-1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]acetate
CID 42565131
(3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905236
5-[(4-bromoimidazol-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 167843401
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908266

Frequently Asked Questions

What is the IUPAC name of 1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine (CID 110277887) is 1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine is NC1CCN(Cc2nc(-c3cnccn3)no2)C1.
What is the InChIKey of 1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine?
The InChIKey is SSJDZPPMZJYHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c12-8-1-4-17(6-8)7-10-15-11(16-18-10)9-5-13-2-3-14-9/h2-3,5,8H,1,4,6-7,12H2.
What are the key properties of 1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine?
1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine has a molecular weight of 246.27 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 110277887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).