2,1,3-benzoxadiazole;1H-indazole

C13H10N4O — CID 157326942

IUPAC2,1,3-benzoxadiazole;1H-indazole
SMILESc1ccc2[nH]ncc2c1.c1ccc2nonc2c1
InChIInChI=1S/C7H6N2.C6H4N2O/c1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5(3-1)7-9-8-6/h1-5H,(H,8,9);1-4H
InChIKeyBEVMWIXVKLJKPK-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.79
Rot. Bonds

About 2,1,3-benzoxadiazole;1H-indazole

2,1,3-benzoxadiazole;1H-indazole (PubChem CID 157326942) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2,1,3-benzoxadiazole;1H-indazole.

Molecular Properties

Compound Name2,1,3-benzoxadiazole;1H-indazole
PubChem CID157326942
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name2,1,3-benzoxadiazole;1H-indazole
SMILESc1ccc2[nH]ncc2c1.c1ccc2nonc2c1
InChIInChI=1S/C7H6N2.C6H4N2O/c1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5(3-1)7-9-8-6/h1-5H,(H,8,9);1-4H
InChIKeyBEVMWIXVKLJKPK-UHFFFAOYSA-N
XLogP2.79
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzoxadiazole;1H-indazole?
The IUPAC name of 2,1,3-benzoxadiazole;1H-indazole (CID 157326942) is 2,1,3-benzoxadiazole;1H-indazole.
What is the SMILES notation for 2,1,3-benzoxadiazole;1H-indazole?
The canonical SMILES for 2,1,3-benzoxadiazole;1H-indazole is c1ccc2[nH]ncc2c1.c1ccc2nonc2c1.
What is the InChIKey of 2,1,3-benzoxadiazole;1H-indazole?
The InChIKey is BEVMWIXVKLJKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C6H4N2O/c1-2-4-7-6(3-1)5-8-9-7;1-2-4-6-5(3-1)7-9-8-6/h1-5H,(H,8,9);1-4H.
What are the key properties of 2,1,3-benzoxadiazole;1H-indazole?
2,1,3-benzoxadiazole;1H-indazole has a molecular weight of 238.25 g/mol, XLogP of 2.79, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzoxadiazole;1H-indazole is sourced from PubChem (CID 157326942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).