[5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine

C10H9N5O — CID 42637357

IUPAC[5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2n[nH]c3ccccc23)n1
InChIInChI=1S/C10H9N5O/c11-5-8-12-10(16-15-8)9-6-3-1-2-4-7(6)13-14-9/h1-4H,5,11H2,(H,13,14)
InChIKeyJEIAXXDLYDZQPO-UHFFFAOYSA-N
MW215.22 g/mol
LogP1.07
Rot. Bonds2

About [5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine

[5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 42637357) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is [5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID42637357
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name[5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2n[nH]c3ccccc23)n1
InChIInChI=1S/C10H9N5O/c11-5-8-12-10(16-15-8)9-6-3-1-2-4-7(6)13-14-9/h1-4H,5,11H2,(H,13,14)
InChIKeyJEIAXXDLYDZQPO-UHFFFAOYSA-N
XLogP1.07
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine (CID 42637357) is [5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(-c2n[nH]c3ccccc23)n1.
What is the InChIKey of [5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is JEIAXXDLYDZQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c11-5-8-12-10(16-15-8)9-6-3-1-2-4-7(6)13-14-9/h1-4H,5,11H2,(H,13,14).
What are the key properties of [5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine?
[5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 215.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 42637357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).