5-methyl-2-(triazin-4-yl)phenol

C10H9N3O — CID 174861376

IUPAC5-methyl-2-(triazin-4-yl)phenol
SMILESCc1ccc(-c2ccnnn2)c(O)c1
InChIInChI=1S/C10H9N3O/c1-7-2-3-8(10(14)6-7)9-4-5-11-13-12-9/h2-6,14H,1H3
InChIKeyUCRKARYOLYNNKW-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.55
Rot. Bonds1

About 5-methyl-2-(triazin-4-yl)phenol

5-methyl-2-(triazin-4-yl)phenol (PubChem CID 174861376) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 5-methyl-2-(triazin-4-yl)phenol.

Molecular Properties

Compound Name5-methyl-2-(triazin-4-yl)phenol
PubChem CID174861376
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name5-methyl-2-(triazin-4-yl)phenol
SMILESCc1ccc(-c2ccnnn2)c(O)c1
InChIInChI=1S/C10H9N3O/c1-7-2-3-8(10(14)6-7)9-4-5-11-13-12-9/h2-6,14H,1H3
InChIKeyUCRKARYOLYNNKW-UHFFFAOYSA-N
XLogP1.55
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(triazin-4-yl)phenol?
The IUPAC name of 5-methyl-2-(triazin-4-yl)phenol (CID 174861376) is 5-methyl-2-(triazin-4-yl)phenol.
What is the SMILES notation for 5-methyl-2-(triazin-4-yl)phenol?
The canonical SMILES for 5-methyl-2-(triazin-4-yl)phenol is Cc1ccc(-c2ccnnn2)c(O)c1.
What is the InChIKey of 5-methyl-2-(triazin-4-yl)phenol?
The InChIKey is UCRKARYOLYNNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-7-2-3-8(10(14)6-7)9-4-5-11-13-12-9/h2-6,14H,1H3.
What are the key properties of 5-methyl-2-(triazin-4-yl)phenol?
5-methyl-2-(triazin-4-yl)phenol has a molecular weight of 187.20 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(triazin-4-yl)phenol is sourced from PubChem (CID 174861376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).