3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol

C10H11N3O — CID 58393454

IUPAC3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol
SMILESCc1nnc(C)n1-c1cccc(O)c1
InChIInChI=1S/C10H11N3O/c1-7-11-12-8(2)13(7)9-4-3-5-10(14)6-9/h3-6,14H,1-2H3
InChIKeyOPXMPDMBXMBOLH-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.59
Rot. Bonds1

About 3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol

3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol (PubChem CID 58393454) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol
PubChem CID58393454
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol
SMILESCc1nnc(C)n1-c1cccc(O)c1
InChIInChI=1S/C10H11N3O/c1-7-11-12-8(2)13(7)9-4-3-5-10(14)6-9/h3-6,14H,1-2H3
InChIKeyOPXMPDMBXMBOLH-UHFFFAOYSA-N
XLogP1.59
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,4,5,7-tetramethylpyrrolo[3,4-d]pyridazin-6-yl)phenol
CID 134564052
7-fluoro-3-(3-hydroxyphenyl)-2-methylquinazolin-4-one
CID 166524233
1-(3-hydroxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
CID 10779980
4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione
CID 107409889
3-(2-amino-5-methylbenzimidazol-1-yl)phenol
CID 84799591
1-(3-hydroxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 115031139
4-chloro-1-(3-methoxyphenyl)-2-methylbenzimidazole;3-(4-chloro-2-methylbenzimidazol-1-yl)phenol
CID 157392946
3-(3-hydroxyphenyl)-4-methyl-1H-benzimidazol-2-one
CID 117209156
3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
CID 717898
3-(2-chlorobenzimidazol-1-yl)phenol
CID 84802691
4-(difluoromethyl)-2-(3-hydroxyphenyl)-5-methyl-1,2,4-triazol-3-one
CID 13488722
3-methylphenol
CID 67925627

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol?
The IUPAC name of 3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol (CID 58393454) is 3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol.
What is the SMILES notation for 3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol?
The canonical SMILES for 3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol is Cc1nnc(C)n1-c1cccc(O)c1.
What is the InChIKey of 3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol?
The InChIKey is OPXMPDMBXMBOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-11-12-8(2)13(7)9-4-3-5-10(14)6-9/h3-6,14H,1-2H3.
What are the key properties of 3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol?
3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol has a molecular weight of 189.22 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2,4-triazol-4-yl)phenol is sourced from PubChem (CID 58393454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).