5,6-diamino-1H-indol-2-ol

C8H9N3O — CID 159349457

IUPAC5,6-diamino-1H-indol-2-ol
SMILESNc1cc2cc(O)[nH]c2cc1N
InChIInChI=1S/C8H9N3O/c9-5-1-4-2-8(12)11-7(4)3-6(5)10/h1-3,11-12H,9-10H2
InChIKeyLHDISNMFJQXZLM-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.04
Rot. Bonds

About 5,6-diamino-1H-indol-2-ol

5,6-diamino-1H-indol-2-ol (PubChem CID 159349457) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 5,6-diamino-1H-indol-2-ol.

Molecular Properties

Compound Name5,6-diamino-1H-indol-2-ol
PubChem CID159349457
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name5,6-diamino-1H-indol-2-ol
SMILESNc1cc2cc(O)[nH]c2cc1N
InChIInChI=1S/C8H9N3O/c9-5-1-4-2-8(12)11-7(4)3-6(5)10/h1-3,11-12H,9-10H2
InChIKeyLHDISNMFJQXZLM-UHFFFAOYSA-N
XLogP1.04
TPSA88.06 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(Phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 272989
Isatin 3-hydrazone
CID 16906
2-[(2-Oxoindol-3-yl)amino]guanidine
CID 249068
5-Fluoro-3-[2-(4-methylphenyl)hydrazinyl]indol-2-one
CID 2741159
3-(2-azepanylidene)-1,3-dihydro-2H-indol-2-one
CID 759776
5-Fluoro-3-[2-(3-methylphenyl)hydrazinyl]indol-2-one
CID 3583482
5-amino-3-[benzimidazol-2-ylidene(phenyl)methyl]-1H-indol-2-ol
CID 135985610
3-[2-(2-Methylphenyl)hydrazinyl]indol-2-one
CID 272588
(Z)-3-(piperidin-2-ylidene)indolin-2-one
CID 664314
3-(1H-benzimidazol-2-ylmethylene)-1,3-dihydro-2H-indol-2-one
CID 135483378
Isatin 3-semicarbazone
CID 252921
(Z)-3-(pyrrolidin-2-ylidene)indolin-2-one
CID 750071

Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-1H-indol-2-ol?
The IUPAC name of 5,6-diamino-1H-indol-2-ol (CID 159349457) is 5,6-diamino-1H-indol-2-ol.
What is the SMILES notation for 5,6-diamino-1H-indol-2-ol?
The canonical SMILES for 5,6-diamino-1H-indol-2-ol is Nc1cc2cc(O)[nH]c2cc1N.
What is the InChIKey of 5,6-diamino-1H-indol-2-ol?
The InChIKey is LHDISNMFJQXZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-5-1-4-2-8(12)11-7(4)3-6(5)10/h1-3,11-12H,9-10H2.
What are the key properties of 5,6-diamino-1H-indol-2-ol?
5,6-diamino-1H-indol-2-ol has a molecular weight of 163.18 g/mol, XLogP of 1.04, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1H-indol-2-ol is sourced from PubChem (CID 159349457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).