3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one

C12H10N6O2 — CID 135455472

IUPAC3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(/N=N/c2c(O)[nH]c3ccccc23)[nH]c1=O
InChIInChI=1S/C12H10N6O2/c1-6-10(19)14-12(17-15-6)18-16-9-7-4-2-3-5-8(7)13-11(9)20/h2-5,13,20H,1H3,(H,14,17,19)/b18-16+
InChIKeyMUCRZFLTXZPHRS-FBMGVBCBSA-N
MW270.25 g/mol
LogP2.08
Rot. Bonds2

About 3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one

3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135455472) has the molecular formula C12H10N6O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135455472
Molecular FormulaC12H10N6O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC Name3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(/N=N/c2c(O)[nH]c3ccccc23)[nH]c1=O
InChIInChI=1S/C12H10N6O2/c1-6-10(19)14-12(17-15-6)18-16-9-7-4-2-3-5-8(7)13-11(9)20/h2-5,13,20H,1H3,(H,14,17,19)/b18-16+
InChIKeyMUCRZFLTXZPHRS-FBMGVBCBSA-N
XLogP2.08
TPSA119.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-fluorophenyl)diazenyl]-1H-indol-2-ol
CID 5159433
3-[(4-tert-butylphenyl)diazenyl]-1H-indol-2-ol
CID 3565046
(2-hydroxy-1H-indol-3-yl)iminothiourea
CID 690109
N-[(2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzamide
CID 747707
4-(4-chlorophenyl)-2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-oxo-1H-pyrimidine-5-carbonitrile
CID 165415908
2-[(2-hydroxy-1H-indol-3-yl)diazenyl]benzoic acid
CID 3784946
3-(pyridin-3-yldiazenyl)-1H-indol-2-ol
CID 136860029
3-[(5-chloro-2-methylphenyl)diazenyl]-1H-indol-2-ol
CID 136860025
3-[(6-chloro-2-pyridinyl)diazenyl]-1H-indol-2-ol
CID 135659249
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-methylbenzamide
CID 749780
5-[[(2-hydroxy-1H-indol-3-yl)diazenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 4226240
2-[4-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoacetyl]piperazin-1-yl]-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-oxoacetamide
CID 137274442

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one (CID 135455472) is 3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(/N=N/c2c(O)[nH]c3ccccc23)[nH]c1=O.
What is the InChIKey of 3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is MUCRZFLTXZPHRS-FBMGVBCBSA-N. The full InChI is InChI=1S/C12H10N6O2/c1-6-10(19)14-12(17-15-6)18-16-9-7-4-2-3-5-8(7)13-11(9)20/h2-5,13,20H,1H3,(H,14,17,19)/b18-16+.
What are the key properties of 3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one?
3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 270.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135455472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).