Indazol-4-amine, 6-nitro-1,N-diphenyl-

C19H14N4O2 — CID 630249

IUPAC6-nitro-N,1-diphenylindazol-4-amine
SMILESC1=CC=C(C=C1)NC2=C3C=NN(C3=CC(=C2)[N+](=O)[O-])C4=CC=CC=C4
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
MW330.30 g/mol
LogP4.60
Rot. Bonds3

About Indazol-4-amine, 6-nitro-1,N-diphenyl-

Indazol-4-amine, 6-nitro-1,N-diphenyl- (PubChem CID 630249) has the molecular formula C19H14N4O2 and a molecular weight of 330.30 g/mol. Its IUPAC name is 6-nitro-N,1-diphenylindazol-4-amine.

Molecular Properties

Compound NameIndazol-4-amine, 6-nitro-1,N-diphenyl-
PubChem CID630249
Molecular FormulaC19H14N4O2
Molecular Weight330.30 g/mol
Exact Mass330.11
IUPAC Name6-nitro-N,1-diphenylindazol-4-amine
SMILESC1=CC=C(C=C1)NC2=C3C=NN(C3=CC(=C2)[N+](=O)[O-])C4=CC=CC=C4
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
XLogP4.60
TPSA75.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity457

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 Indazol-4-amine, 6-nitro-1,N-diphenyl-?
The IUPAC name of Indazol-4-amine, 6-nitro-1,N-diphenyl- (CID 630249) is 6-nitro-N,1-diphenylindazol-4-amine.
What is the SMILES notation for Indazol-4-amine, 6-nitro-1,N-diphenyl-?
The canonical SMILES for Indazol-4-amine, 6-nitro-1,N-diphenyl- is C1=CC=C(C=C1)NC2=C3C=NN(C3=CC(=C2)[N+](=O)[O-])C4=CC=CC=C4.
What is the InChIKey of Indazol-4-amine, 6-nitro-1,N-diphenyl-?
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 Indazol-4-amine, 6-nitro-1,N-diphenyl-?
Indazol-4-amine, 6-nitro-1,N-diphenyl- has a molecular weight of 330.30 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Indazol-4-amine, 6-nitro-1,N-diphenyl- is sourced from PubChem (CID 630249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).