4-(hydrazinylmethyl)benzene-1,2,3-triol;methanol

C8H14N2O4 — CID 90472349

IUPAC4-(hydrazinylmethyl)benzene-1,2,3-triol;methanol
SMILESCO.NNCc1ccc(O)c(O)c1O
InChIInChI=1S/C7H10N2O3.CH4O/c8-9-3-4-1-2-5(10)7(12)6(4)11;1-2/h1-2,9-12H,3,8H2;2H,1H3
InChIKeyOITNVDWKAYXSQO-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.62
Rot. Bonds2

About 4-(hydrazinylmethyl)benzene-1,2,3-triol;methanol

4-(hydrazinylmethyl)benzene-1,2,3-triol;methanol (PubChem CID 90472349) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-(hydrazinylmethyl)benzene-1,2,3-triol;methanol.

Molecular Properties

Compound Name4-(hydrazinylmethyl)benzene-1,2,3-triol;methanol
PubChem CID90472349
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name4-(hydrazinylmethyl)benzene-1,2,3-triol;methanol
SMILESCO.NNCc1ccc(O)c(O)c1O
InChIInChI=1S/C7H10N2O3.CH4O/c8-9-3-4-1-2-5(10)7(12)6(4)11;1-2/h1-2,9-12H,3,8H2;2H,1H3
InChIKeyOITNVDWKAYXSQO-UHFFFAOYSA-N
XLogP-0.62
TPSA118.97 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 4-(hydrazinylmethyl)benzene-1,2,3-triol;methanol?
The IUPAC name of 4-(hydrazinylmethyl)benzene-1,2,3-triol;methanol (CID 90472349) is 4-(hydrazinylmethyl)benzene-1,2,3-triol;methanol.
What is the SMILES notation for 4-(hydrazinylmethyl)benzene-1,2,3-triol;methanol?
The canonical SMILES for 4-(hydrazinylmethyl)benzene-1,2,3-triol;methanol is CO.NNCc1ccc(O)c(O)c1O.
What is the InChIKey of 4-(hydrazinylmethyl)benzene-1,2,3-triol;methanol?
The InChIKey is OITNVDWKAYXSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3.CH4O/c8-9-3-4-1-2-5(10)7(12)6(4)11;1-2/h1-2,9-12H,3,8H2;2H,1H3.
What are the key properties of 4-(hydrazinylmethyl)benzene-1,2,3-triol;methanol?
4-(hydrazinylmethyl)benzene-1,2,3-triol;methanol has a molecular weight of 202.21 g/mol, XLogP of -0.62, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydrazinylmethyl)benzene-1,2,3-triol;methanol is sourced from PubChem (CID 90472349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).