6H-indazole

C7H6N2 — CID 23109657

IUPAC6H-indazole
SMILESC1=CC2=CN=NC2=CC1
InChIInChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1,3-5H,2H2
InChIKeyISCAVHRQULPOGO-UHFFFAOYSA-N
MW118.14 g/mol
LogP2.18
Rot. Bonds

About 6H-indazole

6H-indazole (PubChem CID 23109657) has the molecular formula C7H6N2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 6H-indazole.

Molecular Properties

Compound Name6H-indazole
PubChem CID23109657
Molecular FormulaC7H6N2
Molecular Weight118.14 g/mol
Exact Mass118.05
IUPAC Name6H-indazole
SMILESC1=CC2=CN=NC2=CC1
InChIInChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1,3-5H,2H2
InChIKeyISCAVHRQULPOGO-UHFFFAOYSA-N
XLogP2.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6H-indazole?
The IUPAC name of 6H-indazole (CID 23109657) is 6H-indazole.
What is the SMILES notation for 6H-indazole?
The canonical SMILES for 6H-indazole is C1=CC2=CN=NC2=CC1.
What is the InChIKey of 6H-indazole?
The InChIKey is ISCAVHRQULPOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1,3-5H,2H2.
What are the key properties of 6H-indazole?
6H-indazole has a molecular weight of 118.14 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-indazole is sourced from PubChem (CID 23109657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).