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

C9H7N7O — CID 63259901

IUPAC5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(-c3ncn[nH]3)no2)cn1
InChIInChI=1S/C9H7N7O/c10-6-2-1-5(3-11-6)9-14-8(16-17-9)7-12-4-13-15-7/h1-4H,(H2,10,11)(H,12,13,15)
InChIKeyWKFAROLKGCLWRZ-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.50
Rot. Bonds2

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

5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 63259901) has the molecular formula C9H7N7O and a molecular weight of 229.20 g/mol. Its IUPAC name is 5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID63259901
Molecular FormulaC9H7N7O
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(-c3ncn[nH]3)no2)cn1
InChIInChI=1S/C9H7N7O/c10-6-2-1-5(3-11-6)9-14-8(16-17-9)7-12-4-13-15-7/h1-4H,(H2,10,11)(H,12,13,15)
InChIKeyWKFAROLKGCLWRZ-UHFFFAOYSA-N
XLogP0.50
TPSA119.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 63259901) is 5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is Nc1ccc(-c2nc(-c3ncn[nH]3)no2)cn1.
What is the InChIKey of 5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is WKFAROLKGCLWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N7O/c10-6-2-1-5(3-11-6)9-14-8(16-17-9)7-12-4-13-15-7/h1-4H,(H2,10,11)(H,12,13,15).
What are the key properties of 5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 229.20 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 63259901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).