3-diazenyl-1-methylindol-2-ol

C9H9N3O — CID 600234

IUPAC3-diazenyl-1-methylindol-2-ol
SMILES[H]/N=N/c1c(O)n(C)c2ccccc12
InChIInChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)8(11-10)9(12)13/h2-5,10,13H,1H3/b11-10+
InChIKeyKPBNRDGQYYGJIS-ZHACJKMWSA-N
MW175.19 g/mol
LogP2.55
Rot. Bonds1

About 3-diazenyl-1-methylindol-2-ol

3-diazenyl-1-methylindol-2-ol (PubChem CID 600234) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-diazenyl-1-methylindol-2-ol.

Molecular Properties

Compound Name3-diazenyl-1-methylindol-2-ol
PubChem CID600234
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name3-diazenyl-1-methylindol-2-ol
SMILES[H]/N=N/c1c(O)n(C)c2ccccc12
InChIInChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)8(11-10)9(12)13/h2-5,10,13H,1H3/b11-10+
InChIKeyKPBNRDGQYYGJIS-ZHACJKMWSA-N
XLogP2.55
TPSA61.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-diazenyl-1-methylindol-2-ol?
The IUPAC name of 3-diazenyl-1-methylindol-2-ol (CID 600234) is 3-diazenyl-1-methylindol-2-ol.
What is the SMILES notation for 3-diazenyl-1-methylindol-2-ol?
The canonical SMILES for 3-diazenyl-1-methylindol-2-ol is [H]/N=N/c1c(O)n(C)c2ccccc12.
What is the InChIKey of 3-diazenyl-1-methylindol-2-ol?
The InChIKey is KPBNRDGQYYGJIS-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)8(11-10)9(12)13/h2-5,10,13H,1H3/b11-10+.
What are the key properties of 3-diazenyl-1-methylindol-2-ol?
3-diazenyl-1-methylindol-2-ol has a molecular weight of 175.19 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazenyl-1-methylindol-2-ol is sourced from PubChem (CID 600234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).