4-nitro-N'-tritylindazole-1-carbohydrazide

C27H21N5O3 — CID 22943106

IUPAC4-nitro-N'-tritylindazole-1-carbohydrazide
SMILESO=C(NNC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ncc2c([N+](=O)[O-])cccc21
InChIInChI=1S/C27H21N5O3/c33-26(31-24-17-10-18-25(32(34)35)23(24)19-28-31)29-30-27(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-19,30H,(H,29,33)
InChIKeyIQGREDDVFMCRKS-UHFFFAOYSA-N
MW463.50 g/mol
LogP5.00
Rot. Bonds6

About 4-nitro-N'-tritylindazole-1-carbohydrazide

4-nitro-N'-tritylindazole-1-carbohydrazide (PubChem CID 22943106) has the molecular formula C27H21N5O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is 4-nitro-N'-tritylindazole-1-carbohydrazide.

Molecular Properties

Compound Name4-nitro-N'-tritylindazole-1-carbohydrazide
PubChem CID22943106
Molecular FormulaC27H21N5O3
Molecular Weight463.50 g/mol
Exact Mass463.16
IUPAC Name4-nitro-N'-tritylindazole-1-carbohydrazide
SMILESO=C(NNC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ncc2c([N+](=O)[O-])cccc21
InChIInChI=1S/C27H21N5O3/c33-26(31-24-17-10-18-25(32(34)35)23(24)19-28-31)29-30-27(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-19,30H,(H,29,33)
InChIKeyIQGREDDVFMCRKS-UHFFFAOYSA-N
XLogP5.00
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-N-methyl-6-nitroindazole-1-carboxamide
CID 12285833
3-(4-fluorophenyl)-N-(3-nitrophenyl)indazole-1-carboxamide
CID 173167822
n-Methyl-6-nitro-1h-indazole-1-carboxamide
CID 267954
1-(N-(4-Fluoro-3-nitrophenyl)carbamoyl)-6-nitro-1H-indazole
CID 1809918
1-(4-fluoro-3-nitrophenyl)-3-(1H-indazol-6-yl)urea
CID 3492370
N-butyl-6-nitroindazole-1-carboxamide
CID 267955
N-(4-benzylphenyl)-6-(dimethylaminodiazenyl)indazole-1-carboxamide
CID 155814016
5-Nitro-1-trityl-1H-indazole
CID 15644404
6-Nitro-1-tritylindazole
CID 15644405
1-[4-[2-[4-(Hydroperoxyamino)indazole-1-carbonyl]hydrazinyl]phenyl]-3-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]thiourea
CID 22889740
4-nitro-N'-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]indazole-1-carbohydrazide
CID 22889882
N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]-3-[(4-octylphenyl)sulfonylamino]benzenesulfonamide
CID 22889967

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N'-tritylindazole-1-carbohydrazide?
The IUPAC name of 4-nitro-N'-tritylindazole-1-carbohydrazide (CID 22943106) is 4-nitro-N'-tritylindazole-1-carbohydrazide.
What is the SMILES notation for 4-nitro-N'-tritylindazole-1-carbohydrazide?
The canonical SMILES for 4-nitro-N'-tritylindazole-1-carbohydrazide is O=C(NNC(c1ccccc1)(c1ccccc1)c1ccccc1)n1ncc2c([N+](=O)[O-])cccc21.
What is the InChIKey of 4-nitro-N'-tritylindazole-1-carbohydrazide?
The InChIKey is IQGREDDVFMCRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O3/c33-26(31-24-17-10-18-25(32(34)35)23(24)19-28-31)29-30-27(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-19,30H,(H,29,33).
What are the key properties of 4-nitro-N'-tritylindazole-1-carbohydrazide?
4-nitro-N'-tritylindazole-1-carbohydrazide has a molecular weight of 463.50 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N'-tritylindazole-1-carbohydrazide is sourced from PubChem (CID 22943106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).