4H-indazole

C7H6N2 — CID 23109654

IUPAC4H-indazole
SMILESC1=CCC2=CN=NC2=C1
InChIInChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-2,4-5H,3H2
InChIKeyNOMWSIXEERHDSY-UHFFFAOYSA-N
MW118.14 g/mol
LogP2.18
Rot. Bonds

About 4H-indazole

4H-indazole (PubChem CID 23109654) has the molecular formula C7H6N2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 4H-indazole.

Molecular Properties

Compound Name4H-indazole
PubChem CID23109654
Molecular FormulaC7H6N2
Molecular Weight118.14 g/mol
Exact Mass118.05
IUPAC Name4H-indazole
SMILESC1=CCC2=CN=NC2=C1
InChIInChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-2,4-5H,3H2
InChIKeyNOMWSIXEERHDSY-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 4H-indazole?
The IUPAC name of 4H-indazole (CID 23109654) is 4H-indazole.
What is the SMILES notation for 4H-indazole?
The canonical SMILES for 4H-indazole is C1=CCC2=CN=NC2=C1.
What is the InChIKey of 4H-indazole?
The InChIKey is NOMWSIXEERHDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-2,4-5H,3H2.
What are the key properties of 4H-indazole?
4H-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 4H-indazole is sourced from PubChem (CID 23109654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).