6-nitro-N,1-diphenylindazol-4-amine

C19H14N4O2 — CID 630249

IUPAC6-nitro-N,1-diphenylindazol-4-amine
SMILESO=[N+]([O-])c1cc(Nc2ccccc2)c2cnn(-c3ccccc3)c2c1
InChIInChI=1S/C19H14N4O2/c24-23(25)16-11-18(21-14-7-3-1-4-8-14)17-13-20-22(19(17)12-16)15-9-5-2-6-10-15/h1-13,21H
InChIKeyCEUNCVVLMQFKIU-UHFFFAOYSA-N
MW330.35 g/mol
LogP4.68
Rot. Bonds4

About 6-nitro-N,1-diphenylindazol-4-amine

6-nitro-N,1-diphenylindazol-4-amine (PubChem CID 630249) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 6-nitro-N,1-diphenylindazol-4-amine.

Molecular Properties

Compound Name6-nitro-N,1-diphenylindazol-4-amine
PubChem CID630249
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name6-nitro-N,1-diphenylindazol-4-amine
SMILESO=[N+]([O-])c1cc(Nc2ccccc2)c2cnn(-c3ccccc3)c2c1
InChIInChI=1S/C19H14N4O2/c24-23(25)16-11-18(21-14-7-3-1-4-8-14)17-13-20-22(19(17)12-16)15-9-5-2-6-10-15/h1-13,21H
InChIKeyCEUNCVVLMQFKIU-UHFFFAOYSA-N
XLogP4.68
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-nitro-N,1-diphenylindazol-4-amine?
The IUPAC name of 6-nitro-N,1-diphenylindazol-4-amine (CID 630249) is 6-nitro-N,1-diphenylindazol-4-amine.
What is the SMILES notation for 6-nitro-N,1-diphenylindazol-4-amine?
The canonical SMILES for 6-nitro-N,1-diphenylindazol-4-amine is O=[N+]([O-])c1cc(Nc2ccccc2)c2cnn(-c3ccccc3)c2c1.
What is the InChIKey of 6-nitro-N,1-diphenylindazol-4-amine?
The InChIKey is CEUNCVVLMQFKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c24-23(25)16-11-18(21-14-7-3-1-4-8-14)17-13-20-22(19(17)12-16)15-9-5-2-6-10-15/h1-13,21H.
What are the key properties of 6-nitro-N,1-diphenylindazol-4-amine?
6-nitro-N,1-diphenylindazol-4-amine has a molecular weight of 330.35 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-N,1-diphenylindazol-4-amine is sourced from PubChem (CID 630249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).