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

C16H14N6O — CID 53239342

IUPAC[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2c3ccccc3nn2Cc2ccccn2)n1
InChIInChI=1S/C16H14N6O/c17-9-14-19-16(23-21-14)15-12-6-1-2-7-13(12)20-22(15)10-11-5-3-4-8-18-11/h1-8H,9-10,17H2
InChIKeyLYBMATNLYNTFCZ-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.99
Rot. Bonds4

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

[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 53239342) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is [5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID53239342
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2c3ccccc3nn2Cc2ccccn2)n1
InChIInChI=1S/C16H14N6O/c17-9-14-19-16(23-21-14)15-12-6-1-2-7-13(12)20-22(15)10-11-5-3-4-8-18-11/h1-8H,9-10,17H2
InChIKeyLYBMATNLYNTFCZ-UHFFFAOYSA-N
XLogP1.99
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (CID 53239342) is [5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(-c2c3ccccc3nn2Cc2ccccn2)n1.
What is the InChIKey of [5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is LYBMATNLYNTFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c17-9-14-19-16(23-21-14)15-12-6-1-2-7-13(12)20-22(15)10-11-5-3-4-8-18-11/h1-8H,9-10,17H2.
What are the key properties of [5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 306.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(pyridin-2-ylmethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 53239342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).