3-(1H-indazol-5-yl)-1,2,5-oxadiazole

C9H6N4O — CID 67417343

IUPAC3-(1H-indazol-5-yl)-1,2,5-oxadiazole
SMILESc1cc2[nH]ncc2cc1-c1cnon1
InChIInChI=1S/C9H6N4O/c1-2-8-7(4-10-12-8)3-6(1)9-5-11-14-13-9/h1-5H,(H,10,12)
InChIKeyIXKAZEAACFQTTQ-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.61
Rot. Bonds1

About 3-(1H-indazol-5-yl)-1,2,5-oxadiazole

3-(1H-indazol-5-yl)-1,2,5-oxadiazole (PubChem CID 67417343) has the molecular formula C9H6N4O and a molecular weight of 186.17 g/mol. Its IUPAC name is 3-(1H-indazol-5-yl)-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-(1H-indazol-5-yl)-1,2,5-oxadiazole
PubChem CID67417343
Molecular FormulaC9H6N4O
Molecular Weight186.17 g/mol
Exact Mass186.05
IUPAC Name3-(1H-indazol-5-yl)-1,2,5-oxadiazole
SMILESc1cc2[nH]ncc2cc1-c1cnon1
InChIInChI=1S/C9H6N4O/c1-2-8-7(4-10-12-8)3-6(1)9-5-11-14-13-9/h1-5H,(H,10,12)
InChIKeyIXKAZEAACFQTTQ-UHFFFAOYSA-N
XLogP1.61
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-5-yl)-1,2,5-oxadiazole?
The IUPAC name of 3-(1H-indazol-5-yl)-1,2,5-oxadiazole (CID 67417343) is 3-(1H-indazol-5-yl)-1,2,5-oxadiazole.
What is the SMILES notation for 3-(1H-indazol-5-yl)-1,2,5-oxadiazole?
The canonical SMILES for 3-(1H-indazol-5-yl)-1,2,5-oxadiazole is c1cc2[nH]ncc2cc1-c1cnon1.
What is the InChIKey of 3-(1H-indazol-5-yl)-1,2,5-oxadiazole?
The InChIKey is IXKAZEAACFQTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O/c1-2-8-7(4-10-12-8)3-6(1)9-5-11-14-13-9/h1-5H,(H,10,12).
What are the key properties of 3-(1H-indazol-5-yl)-1,2,5-oxadiazole?
3-(1H-indazol-5-yl)-1,2,5-oxadiazole has a molecular weight of 186.17 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-5-yl)-1,2,5-oxadiazole is sourced from PubChem (CID 67417343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).