[4-(2-hydroxyphenyl)-6-methyl-1,3,5-triazin-2-yl]cyanamide

C11H9N5O — CID 135842897

IUPAC[4-(2-hydroxyphenyl)-6-methyl-1,3,5-triazin-2-yl]cyanamide
SMILESCc1nc(NC#N)nc(-c2ccccc2O)n1
InChIInChI=1S/C11H9N5O/c1-7-14-10(16-11(15-7)13-6-12)8-4-2-3-5-9(8)17/h2-5,17H,1H3,(H,13,14,15,16)
InChIKeyURFBHPZCUISFOG-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.45
Rot. Bonds2

About [4-(2-hydroxyphenyl)-6-methyl-1,3,5-triazin-2-yl]cyanamide

[4-(2-hydroxyphenyl)-6-methyl-1,3,5-triazin-2-yl]cyanamide (PubChem CID 135842897) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is [4-(2-hydroxyphenyl)-6-methyl-1,3,5-triazin-2-yl]cyanamide.

Molecular Properties

Compound Name[4-(2-hydroxyphenyl)-6-methyl-1,3,5-triazin-2-yl]cyanamide
PubChem CID135842897
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name[4-(2-hydroxyphenyl)-6-methyl-1,3,5-triazin-2-yl]cyanamide
SMILESCc1nc(NC#N)nc(-c2ccccc2O)n1
InChIInChI=1S/C11H9N5O/c1-7-14-10(16-11(15-7)13-6-12)8-4-2-3-5-9(8)17/h2-5,17H,1H3,(H,13,14,15,16)
InChIKeyURFBHPZCUISFOG-UHFFFAOYSA-N
XLogP1.45
TPSA94.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyphenyl)-6-methyl-1,3,5-triazin-2-yl]cyanamide?
The IUPAC name of [4-(2-hydroxyphenyl)-6-methyl-1,3,5-triazin-2-yl]cyanamide (CID 135842897) is [4-(2-hydroxyphenyl)-6-methyl-1,3,5-triazin-2-yl]cyanamide.
What is the SMILES notation for [4-(2-hydroxyphenyl)-6-methyl-1,3,5-triazin-2-yl]cyanamide?
The canonical SMILES for [4-(2-hydroxyphenyl)-6-methyl-1,3,5-triazin-2-yl]cyanamide is Cc1nc(NC#N)nc(-c2ccccc2O)n1.
What is the InChIKey of [4-(2-hydroxyphenyl)-6-methyl-1,3,5-triazin-2-yl]cyanamide?
The InChIKey is URFBHPZCUISFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c1-7-14-10(16-11(15-7)13-6-12)8-4-2-3-5-9(8)17/h2-5,17H,1H3,(H,13,14,15,16).
What are the key properties of [4-(2-hydroxyphenyl)-6-methyl-1,3,5-triazin-2-yl]cyanamide?
[4-(2-hydroxyphenyl)-6-methyl-1,3,5-triazin-2-yl]cyanamide has a molecular weight of 227.23 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyphenyl)-6-methyl-1,3,5-triazin-2-yl]cyanamide is sourced from PubChem (CID 135842897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).