[methyl-(pyridin-3-yldiazenyl)amino]methanol

C7H10N4O — CID 13099386

IUPAC[methyl-(pyridin-3-yldiazenyl)amino]methanol
SMILESCN(CO)/N=N/c1cccnc1
InChIInChI=1S/C7H10N4O/c1-11(6-12)10-9-7-3-2-4-8-5-7/h2-5,12H,6H2,1H3/b10-9+
InChIKeyDCTQAGKYXWKBFJ-MDZDMXLPSA-N
MW166.18 g/mol
LogP0.96
Rot. Bonds3

About [methyl-(pyridin-3-yldiazenyl)amino]methanol

[methyl-(pyridin-3-yldiazenyl)amino]methanol (PubChem CID 13099386) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is [methyl-(pyridin-3-yldiazenyl)amino]methanol.

Molecular Properties

Compound Name[methyl-(pyridin-3-yldiazenyl)amino]methanol
PubChem CID13099386
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name[methyl-(pyridin-3-yldiazenyl)amino]methanol
SMILESCN(CO)/N=N/c1cccnc1
InChIInChI=1S/C7H10N4O/c1-11(6-12)10-9-7-3-2-4-8-5-7/h2-5,12H,6H2,1H3/b10-9+
InChIKeyDCTQAGKYXWKBFJ-MDZDMXLPSA-N
XLogP0.96
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [methyl-(pyridin-3-yldiazenyl)amino]methanol?
The IUPAC name of [methyl-(pyridin-3-yldiazenyl)amino]methanol (CID 13099386) is [methyl-(pyridin-3-yldiazenyl)amino]methanol.
What is the SMILES notation for [methyl-(pyridin-3-yldiazenyl)amino]methanol?
The canonical SMILES for [methyl-(pyridin-3-yldiazenyl)amino]methanol is CN(CO)/N=N/c1cccnc1.
What is the InChIKey of [methyl-(pyridin-3-yldiazenyl)amino]methanol?
The InChIKey is DCTQAGKYXWKBFJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C7H10N4O/c1-11(6-12)10-9-7-3-2-4-8-5-7/h2-5,12H,6H2,1H3/b10-9+.
What are the key properties of [methyl-(pyridin-3-yldiazenyl)amino]methanol?
[methyl-(pyridin-3-yldiazenyl)amino]methanol has a molecular weight of 166.18 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-(pyridin-3-yldiazenyl)amino]methanol is sourced from PubChem (CID 13099386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).