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

C8H8N4O — CID 23008079

IUPAC(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESNCc1nc(-c2ccccn2)no1
InChIInChI=1S/C8H8N4O/c9-5-7-11-8(12-13-7)6-3-1-2-4-10-6/h1-4H,5,9H2
InChIKeyRIQNXCLFKYLPTC-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.59
Rot. Bonds2

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

(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 23008079) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is (3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
PubChem CID23008079
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
SMILESNCc1nc(-c2ccccn2)no1
InChIInChI=1S/C8H8N4O/c9-5-7-11-8(12-13-7)6-3-1-2-4-10-6/h1-4H,5,9H2
InChIKeyRIQNXCLFKYLPTC-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The IUPAC name of (3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine (CID 23008079) is (3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine.
What is the SMILES notation for (3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The canonical SMILES for (3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine is NCc1nc(-c2ccccn2)no1.
What is the InChIKey of (3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is RIQNXCLFKYLPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-5-7-11-8(12-13-7)6-3-1-2-4-10-6/h1-4H,5,9H2.
What are the key properties of (3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine?
(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 176.18 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 23008079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).