1,2-di(indazol-1-yl)ethane-1,2-dione

C16H10N4O2 — CID 139197503

IUPAC1,2-di(indazol-1-yl)ethane-1,2-dione
SMILESO=C(C(=O)n1ncc2ccccc21)n1ncc2ccccc21
InChIInChI=1S/C16H10N4O2/c21-15(19-13-7-3-1-5-11(13)9-17-19)16(22)20-14-8-4-2-6-12(14)10-18-20/h1-10H
InChIKeyGCIQFXGXADNTGE-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.37
Rot. Bonds

About 1,2-di(indazol-1-yl)ethane-1,2-dione

1,2-di(indazol-1-yl)ethane-1,2-dione (PubChem CID 139197503) has the molecular formula C16H10N4O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1,2-di(indazol-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1,2-di(indazol-1-yl)ethane-1,2-dione
PubChem CID139197503
Molecular FormulaC16H10N4O2
Molecular Weight290.28 g/mol
Exact Mass290.08
IUPAC Name1,2-di(indazol-1-yl)ethane-1,2-dione
SMILESO=C(C(=O)n1ncc2ccccc21)n1ncc2ccccc21
InChIInChI=1S/C16H10N4O2/c21-15(19-13-7-3-1-5-11(13)9-17-19)16(22)20-14-8-4-2-6-12(14)10-18-20/h1-10H
InChIKeyGCIQFXGXADNTGE-UHFFFAOYSA-N
XLogP2.37
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

indazole-1-carboxamide;trihydrochloride
CID 173083346
2-hydroxy-1-indazol-1-ylethanone
CID 141178771
2-hydroxyethyl indazole-1-carboxylate
CID 141178752
N-benzylindazole-1-carboxamide
CID 53033776
propyl indazole-1-carboxylate
CID 71095858
benzimidazol-1-yl(indazol-1-yl)methanone
CID 67255465
1-buta-1,3-dien-2-ylindazole
CID 174783141
N-(2-bromophenyl)indazole-1-carboxamide
CID 53033767
3-hydroxypropyl indazole-1-carboxylate
CID 141178770
N-(4-fluorophenyl)indazole-1-carboxamide
CID 53033778
(1,3-dimethylpyrazol-4-yl)-indazol-1-ylmethanone
CID 140526822
1-hydroxyindazole;hydrate
CID 67284666

Frequently Asked Questions

What is the IUPAC name of 1,2-di(indazol-1-yl)ethane-1,2-dione?
The IUPAC name of 1,2-di(indazol-1-yl)ethane-1,2-dione (CID 139197503) is 1,2-di(indazol-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1,2-di(indazol-1-yl)ethane-1,2-dione?
The canonical SMILES for 1,2-di(indazol-1-yl)ethane-1,2-dione is O=C(C(=O)n1ncc2ccccc21)n1ncc2ccccc21.
What is the InChIKey of 1,2-di(indazol-1-yl)ethane-1,2-dione?
The InChIKey is GCIQFXGXADNTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2/c21-15(19-13-7-3-1-5-11(13)9-17-19)16(22)20-14-8-4-2-6-12(14)10-18-20/h1-10H.
What are the key properties of 1,2-di(indazol-1-yl)ethane-1,2-dione?
1,2-di(indazol-1-yl)ethane-1,2-dione has a molecular weight of 290.28 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(indazol-1-yl)ethane-1,2-dione is sourced from PubChem (CID 139197503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).