5-(4-methyl-1,3,5-triazin-2-yl)benzene-1,3-diol

C10H9N3O2 — CID 168740997

IUPAC5-(4-methyl-1,3,5-triazin-2-yl)benzene-1,3-diol
SMILESCc1ncnc(-c2cc(O)cc(O)c2)n1
InChIInChI=1S/C10H9N3O2/c1-6-11-5-12-10(13-6)7-2-8(14)4-9(15)3-7/h2-5,14-15H,1H3
InChIKeyAINWDBZOSDJITC-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.26
Rot. Bonds1

About 5-(4-methyl-1,3,5-triazin-2-yl)benzene-1,3-diol

5-(4-methyl-1,3,5-triazin-2-yl)benzene-1,3-diol (PubChem CID 168740997) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 5-(4-methyl-1,3,5-triazin-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(4-methyl-1,3,5-triazin-2-yl)benzene-1,3-diol
PubChem CID168740997
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name5-(4-methyl-1,3,5-triazin-2-yl)benzene-1,3-diol
SMILESCc1ncnc(-c2cc(O)cc(O)c2)n1
InChIInChI=1S/C10H9N3O2/c1-6-11-5-12-10(13-6)7-2-8(14)4-9(15)3-7/h2-5,14-15H,1H3
InChIKeyAINWDBZOSDJITC-UHFFFAOYSA-N
XLogP1.26
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1,3,5-triazin-2-yl)benzene-1,3-diol?
The IUPAC name of 5-(4-methyl-1,3,5-triazin-2-yl)benzene-1,3-diol (CID 168740997) is 5-(4-methyl-1,3,5-triazin-2-yl)benzene-1,3-diol.
What is the SMILES notation for 5-(4-methyl-1,3,5-triazin-2-yl)benzene-1,3-diol?
The canonical SMILES for 5-(4-methyl-1,3,5-triazin-2-yl)benzene-1,3-diol is Cc1ncnc(-c2cc(O)cc(O)c2)n1.
What is the InChIKey of 5-(4-methyl-1,3,5-triazin-2-yl)benzene-1,3-diol?
The InChIKey is AINWDBZOSDJITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-6-11-5-12-10(13-6)7-2-8(14)4-9(15)3-7/h2-5,14-15H,1H3.
What are the key properties of 5-(4-methyl-1,3,5-triazin-2-yl)benzene-1,3-diol?
5-(4-methyl-1,3,5-triazin-2-yl)benzene-1,3-diol has a molecular weight of 203.20 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1,3,5-triazin-2-yl)benzene-1,3-diol is sourced from PubChem (CID 168740997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).