[5-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]methanamine

C9H10N4O — CID 121210194

IUPAC[5-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(Cc2ccncc2)n1
InChIInChI=1S/C9H10N4O/c10-6-8-12-9(14-13-8)5-7-1-3-11-4-2-7/h1-4H,5-6,10H2
InChIKeyIROIZPNETIJCKV-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.51
Rot. Bonds3

About [5-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]methanamine

[5-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 121210194) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is [5-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID121210194
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name[5-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(Cc2ccncc2)n1
InChIInChI=1S/C9H10N4O/c10-6-8-12-9(14-13-8)5-7-1-3-11-4-2-7/h1-4H,5-6,10H2
InChIKeyIROIZPNETIJCKV-UHFFFAOYSA-N
XLogP0.51
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 121210194) is [5-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(Cc2ccncc2)n1.
What is the InChIKey of [5-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is IROIZPNETIJCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c10-6-8-12-9(14-13-8)5-7-1-3-11-4-2-7/h1-4H,5-6,10H2.
What are the key properties of [5-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]methanamine?
[5-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 190.21 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 121210194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).