4-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol

C17H14N4O2 — CID 135495726

IUPAC4-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2ncc(-c3ccccc3)cn2)c(O)c1
InChIInChI=1S/C17H14N4O2/c22-15-7-6-13(16(23)8-15)11-20-21-17-18-9-14(10-19-17)12-4-2-1-3-5-12/h1-11,22-23H,(H,18,19,21)/b20-11+
InChIKeyINTAJBYYLKHNCA-RGVLZGJSSA-N
MW306.33 g/mol
LogP3.00
Rot. Bonds4

About 4-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol

4-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135495726) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135495726
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name4-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(/C=N/Nc2ncc(-c3ccccc3)cn2)c(O)c1
InChIInChI=1S/C17H14N4O2/c22-15-7-6-13(16(23)8-15)11-20-21-17-18-9-14(10-19-17)12-4-2-1-3-5-12/h1-11,22-23H,(H,18,19,21)/b20-11+
InChIKeyINTAJBYYLKHNCA-RGVLZGJSSA-N
XLogP3.00
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol (CID 135495726) is 4-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol is Oc1ccc(/C=N/Nc2ncc(-c3ccccc3)cn2)c(O)c1.
What is the InChIKey of 4-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is INTAJBYYLKHNCA-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-15-7-6-13(16(23)8-15)11-20-21-17-18-9-14(10-19-17)12-4-2-1-3-5-12/h1-11,22-23H,(H,18,19,21)/b20-11+.
What are the key properties of 4-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 306.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 135495726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).