3-indazol-1-ylimino-5-nitro-1H-indol-2-one;hydrochloride

C15H10ClN5O3 — CID 154774436

IUPAC3-indazol-1-ylimino-5-nitro-1H-indol-2-one;hydrochloride
SMILESCl.O=C1Nc2ccc([N+](=O)[O-])cc2C1=Nn1ncc2ccccc21
InChIInChI=1S/C15H9N5O3.ClH/c21-15-14(11-7-10(20(22)23)5-6-12(11)17-15)18-19-13-4-2-1-3-9(13)8-16-19;/h1-8H,(H,17,18,21);1H
InChIKeyWISTYLPCUSEJAG-UHFFFAOYSA-N
MW343.73 g/mol
LogP2.57
Rot. Bonds2

About 3-indazol-1-ylimino-5-nitro-1H-indol-2-one;hydrochloride

3-indazol-1-ylimino-5-nitro-1H-indol-2-one;hydrochloride (PubChem CID 154774436) has the molecular formula C15H10ClN5O3 and a molecular weight of 343.73 g/mol. Its IUPAC name is 3-indazol-1-ylimino-5-nitro-1H-indol-2-one;hydrochloride.

Molecular Properties

Compound Name3-indazol-1-ylimino-5-nitro-1H-indol-2-one;hydrochloride
PubChem CID154774436
Molecular FormulaC15H10ClN5O3
Molecular Weight343.73 g/mol
Exact Mass343.05
IUPAC Name3-indazol-1-ylimino-5-nitro-1H-indol-2-one;hydrochloride
SMILESCl.O=C1Nc2ccc([N+](=O)[O-])cc2C1=Nn1ncc2ccccc21
InChIInChI=1S/C15H9N5O3.ClH/c21-15-14(11-7-10(20(22)23)5-6-12(11)17-15)18-19-13-4-2-1-3-9(13)8-16-19;/h1-8H,(H,17,18,21);1H
InChIKeyWISTYLPCUSEJAG-UHFFFAOYSA-N
XLogP2.57
TPSA102.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3E)-5,7-dichloro-3-indazol-1-ylimino-1H-indol-2-one
CID 167841410
3-(4-benzylpiperazin-1-yl)imino-5-nitro-1H-indol-2-one
CID 135412395
3-[benzyl(phenyl)hydrazinylidene]-5-nitro-1H-indol-2-one
CID 135420626
methane;5-nitro-1H-indole-2,3-dione
CID 174942814
3-nitro-5,12-dihydrobenzo[c][1,6]benzodiazocine-6,11-dione
CID 3128964
3-(4-tert-butylphenyl)imino-5-nitro-1H-indol-2-one
CID 135799773
3-[3-(hydroxymethyl)phenyl]imino-5-nitro-1H-indol-2-one
CID 135472416
(3Z)-3-[[4-(1,3-benzothiazol-2-yl)-3-hydroxy-5-imino-2H-pyrrol-1-yl]imino]-5-nitro-1H-indol-2-one
CID 135677372
3-(2-methyl-4-nitrophenyl)imino-1H-indol-2-one
CID 135519848
3-(2-hydroxy-5-nitrophenyl)imino-1H-indol-2-one
CID 135416717
3-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-nitro-1H-indol-2-one
CID 172639983
(3E)-5-nitro-3-(thiophen-2-ylmethylidene)-1H-indol-2-one
CID 22394616

Frequently Asked Questions

What is the IUPAC name of 3-indazol-1-ylimino-5-nitro-1H-indol-2-one;hydrochloride?
The IUPAC name of 3-indazol-1-ylimino-5-nitro-1H-indol-2-one;hydrochloride (CID 154774436) is 3-indazol-1-ylimino-5-nitro-1H-indol-2-one;hydrochloride.
What is the SMILES notation for 3-indazol-1-ylimino-5-nitro-1H-indol-2-one;hydrochloride?
The canonical SMILES for 3-indazol-1-ylimino-5-nitro-1H-indol-2-one;hydrochloride is Cl.O=C1Nc2ccc([N+](=O)[O-])cc2C1=Nn1ncc2ccccc21.
What is the InChIKey of 3-indazol-1-ylimino-5-nitro-1H-indol-2-one;hydrochloride?
The InChIKey is WISTYLPCUSEJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5O3.ClH/c21-15-14(11-7-10(20(22)23)5-6-12(11)17-15)18-19-13-4-2-1-3-9(13)8-16-19;/h1-8H,(H,17,18,21);1H.
What are the key properties of 3-indazol-1-ylimino-5-nitro-1H-indol-2-one;hydrochloride?
3-indazol-1-ylimino-5-nitro-1H-indol-2-one;hydrochloride has a molecular weight of 343.73 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-1-ylimino-5-nitro-1H-indol-2-one;hydrochloride is sourced from PubChem (CID 154774436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).