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

C10H11N3O — CID 11805507

IUPAC3,5-dimethyl-2-(1,2,4-triazol-1-yl)phenol
SMILESCc1cc(C)c(-n2cncn2)c(O)c1
InChIInChI=1S/C10H11N3O/c1-7-3-8(2)10(9(14)4-7)13-6-11-5-12-13/h3-6,14H,1-2H3
InChIKeyRVNRAUFUBHTCNY-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.59
Rot. Bonds1

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

3,5-dimethyl-2-(1,2,4-triazol-1-yl)phenol (PubChem CID 11805507) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 3,5-dimethyl-2-(1,2,4-triazol-1-yl)phenol.

Molecular Properties

Compound Name3,5-dimethyl-2-(1,2,4-triazol-1-yl)phenol
PubChem CID11805507
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name3,5-dimethyl-2-(1,2,4-triazol-1-yl)phenol
SMILESCc1cc(C)c(-n2cncn2)c(O)c1
InChIInChI=1S/C10H11N3O/c1-7-3-8(2)10(9(14)4-7)13-6-11-5-12-13/h3-6,14H,1-2H3
InChIKeyRVNRAUFUBHTCNY-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

1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]-1,2,4-triazole
CID 173038498
1-(4-ethenyl-2-isocyano-6-methylphenyl)-1,2,4-triazole
CID 123772514
4,5-dichloro-3-methyl-2-(1,2,4-triazol-1-yl)benzoic acid
CID 57007872
2-methyl-4-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrazine
CID 104734383
[4,6-dimethyl-2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanol
CID 61256892
3-methyl-4-(1,2,4-triazol-1-yl)benzenecarbothioamide
CID 60929947
3-methyl-2-(1,2,4-triazol-1-yl)benzenecarboximidamide
CID 107110466
2,4-dimethyl-N'-[4-(1,2,4-triazol-1-yl)benzoyl]benzohydrazide
CID 24513990
2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 62867733
3-(1,2,4-triazol-1-yl)phenol
CID 54592961
1-[5-(chloromethyl)-2-methylphenyl]-1,2,4-triazole
CID 105405915
1-[4-(bromomethyl)-3-methylphenyl]-1,2,4-triazole
CID 107085675

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(1,2,4-triazol-1-yl)phenol?
The IUPAC name of 3,5-dimethyl-2-(1,2,4-triazol-1-yl)phenol (CID 11805507) is 3,5-dimethyl-2-(1,2,4-triazol-1-yl)phenol.
What is the SMILES notation for 3,5-dimethyl-2-(1,2,4-triazol-1-yl)phenol?
The canonical SMILES for 3,5-dimethyl-2-(1,2,4-triazol-1-yl)phenol is Cc1cc(C)c(-n2cncn2)c(O)c1.
What is the InChIKey of 3,5-dimethyl-2-(1,2,4-triazol-1-yl)phenol?
The InChIKey is RVNRAUFUBHTCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-3-8(2)10(9(14)4-7)13-6-11-5-12-13/h3-6,14H,1-2H3.
What are the key properties of 3,5-dimethyl-2-(1,2,4-triazol-1-yl)phenol?
3,5-dimethyl-2-(1,2,4-triazol-1-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 3,5-dimethyl-2-(1,2,4-triazol-1-yl)phenol is sourced from PubChem (CID 11805507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).