1,2,4-oxadiazol-3-yl(pyridin-3-yl)methanamine

C8H8N4O — CID 43559194

IUPAC1,2,4-oxadiazol-3-yl(pyridin-3-yl)methanamine
SMILESNC(c1cccnc1)c1ncon1
InChIInChI=1S/C8H8N4O/c9-7(8-11-5-13-12-8)6-2-1-3-10-4-6/h1-5,7H,9H2
InChIKeyXZNBKPCYUJSVLV-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.51
Rot. Bonds2

About 1,2,4-oxadiazol-3-yl(pyridin-3-yl)methanamine

1,2,4-oxadiazol-3-yl(pyridin-3-yl)methanamine (PubChem CID 43559194) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 1,2,4-oxadiazol-3-yl(pyridin-3-yl)methanamine.

Molecular Properties

Compound Name1,2,4-oxadiazol-3-yl(pyridin-3-yl)methanamine
PubChem CID43559194
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name1,2,4-oxadiazol-3-yl(pyridin-3-yl)methanamine
SMILESNC(c1cccnc1)c1ncon1
InChIInChI=1S/C8H8N4O/c9-7(8-11-5-13-12-8)6-2-1-3-10-4-6/h1-5,7H,9H2
InChIKeyXZNBKPCYUJSVLV-UHFFFAOYSA-N
XLogP0.51
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-oxadiazol-3-yl(pyridin-3-yl)methanamine?
The IUPAC name of 1,2,4-oxadiazol-3-yl(pyridin-3-yl)methanamine (CID 43559194) is 1,2,4-oxadiazol-3-yl(pyridin-3-yl)methanamine.
What is the SMILES notation for 1,2,4-oxadiazol-3-yl(pyridin-3-yl)methanamine?
The canonical SMILES for 1,2,4-oxadiazol-3-yl(pyridin-3-yl)methanamine is NC(c1cccnc1)c1ncon1.
What is the InChIKey of 1,2,4-oxadiazol-3-yl(pyridin-3-yl)methanamine?
The InChIKey is XZNBKPCYUJSVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-7(8-11-5-13-12-8)6-2-1-3-10-4-6/h1-5,7H,9H2.
What are the key properties of 1,2,4-oxadiazol-3-yl(pyridin-3-yl)methanamine?
1,2,4-oxadiazol-3-yl(pyridin-3-yl)methanamine has a molecular weight of 176.18 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-oxadiazol-3-yl(pyridin-3-yl)methanamine is sourced from PubChem (CID 43559194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).