2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine

C11H10N6O — CID 113447849

IUPAC2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCn1cc(-c2noc(-c3ncccc3N)n2)cn1
InChIInChI=1S/C11H10N6O/c1-17-6-7(5-14-17)10-15-11(18-16-10)9-8(12)3-2-4-13-9/h2-6H,12H2,1H3
InChIKeyXECWLZYMDMWTBI-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.11
Rot. Bonds2

About 2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine

2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 113447849) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID113447849
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCn1cc(-c2noc(-c3ncccc3N)n2)cn1
InChIInChI=1S/C11H10N6O/c1-17-6-7(5-14-17)10-15-11(18-16-10)9-8(12)3-2-4-13-9/h2-6H,12H2,1H3
InChIKeyXECWLZYMDMWTBI-UHFFFAOYSA-N
XLogP1.11
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine 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 2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 113447849) is 2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is Cn1cc(-c2noc(-c3ncccc3N)n2)cn1.
What is the InChIKey of 2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is XECWLZYMDMWTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c1-17-6-7(5-14-17)10-15-11(18-16-10)9-8(12)3-2-4-13-9/h2-6H,12H2,1H3.
What are the key properties of 2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine has a molecular weight of 242.24 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 113447849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).