indazol-4-ylidenemethanone

C8H4N2O — CID 90947803

IUPACindazol-4-ylidenemethanone
SMILESO=C=c1cccc2c1=CN=N2
InChIInChI=1S/C8H4N2O/c11-5-6-2-1-3-8-7(6)4-9-10-8/h1-4H
InChIKeyRZPFYVWEYWVPFP-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.03
Rot. Bonds

About indazol-4-ylidenemethanone

indazol-4-ylidenemethanone (PubChem CID 90947803) has the molecular formula C8H4N2O and a molecular weight of 144.13 g/mol. Its IUPAC name is indazol-4-ylidenemethanone.

Molecular Properties

Compound Nameindazol-4-ylidenemethanone
PubChem CID90947803
Molecular FormulaC8H4N2O
Molecular Weight144.13 g/mol
Exact Mass144.03
IUPAC Nameindazol-4-ylidenemethanone
SMILESO=C=c1cccc2c1=CN=N2
InChIInChI=1S/C8H4N2O/c11-5-6-2-1-3-8-7(6)4-9-10-8/h1-4H
InChIKeyRZPFYVWEYWVPFP-UHFFFAOYSA-N
XLogP0.03
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of indazol-4-ylidenemethanone?
The IUPAC name of indazol-4-ylidenemethanone (CID 90947803) is indazol-4-ylidenemethanone.
What is the SMILES notation for indazol-4-ylidenemethanone?
The canonical SMILES for indazol-4-ylidenemethanone is O=C=c1cccc2c1=CN=N2.
What is the InChIKey of indazol-4-ylidenemethanone?
The InChIKey is RZPFYVWEYWVPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2O/c11-5-6-2-1-3-8-7(6)4-9-10-8/h1-4H.
What are the key properties of indazol-4-ylidenemethanone?
indazol-4-ylidenemethanone has a molecular weight of 144.13 g/mol, XLogP of 0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for indazol-4-ylidenemethanone is sourced from PubChem (CID 90947803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).