4-(5-methyl-1,2,4-triazol-1-yl)phenol;hydrobromide

C9H10BrN3O — CID 23460944

IUPAC4-(5-methyl-1,2,4-triazol-1-yl)phenol;hydrobromide
SMILESBr.Cc1ncnn1-c1ccc(O)cc1
InChIInChI=1S/C9H9N3O.BrH/c1-7-10-6-11-12(7)8-2-4-9(13)5-3-8;/h2-6,13H,1H3;1H
InChIKeyRDLXZFSZUZESJV-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.86
Rot. Bonds1

About 4-(5-methyl-1,2,4-triazol-1-yl)phenol;hydrobromide

4-(5-methyl-1,2,4-triazol-1-yl)phenol;hydrobromide (PubChem CID 23460944) has the molecular formula C9H10BrN3O and a molecular weight of 256.10 g/mol. Its IUPAC name is 4-(5-methyl-1,2,4-triazol-1-yl)phenol;hydrobromide.

Molecular Properties

Compound Name4-(5-methyl-1,2,4-triazol-1-yl)phenol;hydrobromide
PubChem CID23460944
Molecular FormulaC9H10BrN3O
Molecular Weight256.10 g/mol
Exact Mass255.00
IUPAC Name4-(5-methyl-1,2,4-triazol-1-yl)phenol;hydrobromide
SMILESBr.Cc1ncnn1-c1ccc(O)cc1
InChIInChI=1S/C9H9N3O.BrH/c1-7-10-6-11-12(7)8-2-4-9(13)5-3-8;/h2-6,13H,1H3;1H
InChIKeyRDLXZFSZUZESJV-UHFFFAOYSA-N
XLogP1.86
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,2,4-triazol-1-yl)phenol;hydrobromide?
The IUPAC name of 4-(5-methyl-1,2,4-triazol-1-yl)phenol;hydrobromide (CID 23460944) is 4-(5-methyl-1,2,4-triazol-1-yl)phenol;hydrobromide.
What is the SMILES notation for 4-(5-methyl-1,2,4-triazol-1-yl)phenol;hydrobromide?
The canonical SMILES for 4-(5-methyl-1,2,4-triazol-1-yl)phenol;hydrobromide is Br.Cc1ncnn1-c1ccc(O)cc1.
What is the InChIKey of 4-(5-methyl-1,2,4-triazol-1-yl)phenol;hydrobromide?
The InChIKey is RDLXZFSZUZESJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O.BrH/c1-7-10-6-11-12(7)8-2-4-9(13)5-3-8;/h2-6,13H,1H3;1H.
What are the key properties of 4-(5-methyl-1,2,4-triazol-1-yl)phenol;hydrobromide?
4-(5-methyl-1,2,4-triazol-1-yl)phenol;hydrobromide has a molecular weight of 256.10 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,2,4-triazol-1-yl)phenol;hydrobromide is sourced from PubChem (CID 23460944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).