2-anilino-1H-indazol-3-one

C13H11N3O — CID 3409488

IUPAC2-anilino-1H-indazol-3-one
SMILESO=c1c2ccccc2[nH]n1Nc1ccccc1
InChIInChI=1S/C13H11N3O/c17-13-11-8-4-5-9-12(11)15-16(13)14-10-6-2-1-3-7-10/h1-9,14-15H
InChIKeyPVGAHKYKNIFLLI-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.20
Rot. Bonds2

About 2-anilino-1H-indazol-3-one

2-anilino-1H-indazol-3-one (PubChem CID 3409488) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-anilino-1H-indazol-3-one.

Molecular Properties

Compound Name2-anilino-1H-indazol-3-one
PubChem CID3409488
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-anilino-1H-indazol-3-one
SMILESO=c1c2ccccc2[nH]n1Nc1ccccc1
InChIInChI=1S/C13H11N3O/c17-13-11-8-4-5-9-12(11)15-16(13)14-10-6-2-1-3-7-10/h1-9,14-15H
InChIKeyPVGAHKYKNIFLLI-UHFFFAOYSA-N
XLogP2.20
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2E,4Z)-hepta-2,4-dien-3-yl]amino]-1H-indazol-3-one
CID 143697713
2-anilino-4-(naphthalen-1-yldiazenyl)-1H-pyrazol-3-one
CID 135850737
2-(1-phenylcyclopropyl)-1H-indazol-3-one
CID 131845574
2-propanoyl-1H-indazol-3-one
CID 14947978
2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid
CID 68631115
2-(1-hydroxypropan-2-yl)-1H-indazol-3-one
CID 90945721
2-(4-methylsulfinylphenyl)-1H-indazol-3-one
CID 19805492
3-anilino-2-(2-methoxyphenyl)quinazolin-4-one
CID 134956314
2-(thiophen-2-ylmethyl)-1H-indazol-3-one
CID 14898713
N-(3-chlorophenyl)-2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxamide
CID 91283326
N-phenylpyrrolidin-1-amine
CID 12858569
7-anilino-3-hydroxy-1H-quinazoline-2,4-dione
CID 122190086

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1H-indazol-3-one?
The IUPAC name of 2-anilino-1H-indazol-3-one (CID 3409488) is 2-anilino-1H-indazol-3-one.
What is the SMILES notation for 2-anilino-1H-indazol-3-one?
The canonical SMILES for 2-anilino-1H-indazol-3-one is O=c1c2ccccc2[nH]n1Nc1ccccc1.
What is the InChIKey of 2-anilino-1H-indazol-3-one?
The InChIKey is PVGAHKYKNIFLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c17-13-11-8-4-5-9-12(11)15-16(13)14-10-6-2-1-3-7-10/h1-9,14-15H.
What are the key properties of 2-anilino-1H-indazol-3-one?
2-anilino-1H-indazol-3-one has a molecular weight of 225.25 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1H-indazol-3-one is sourced from PubChem (CID 3409488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).