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

C10H11N3O — CID 135626900

IUPAC2-(4,5-dimethyl-1,2,4-triazol-3-yl)phenol
SMILESCc1nnc(-c2ccccc2O)n1C
InChIInChI=1S/C10H11N3O/c1-7-11-12-10(13(7)2)8-5-3-4-6-9(8)14/h3-6,14H,1-2H3
InChIKeyBGSRDHJHUUWEMD-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.50
Rot. Bonds1

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

2-(4,5-dimethyl-1,2,4-triazol-3-yl)phenol (PubChem CID 135626900) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,2,4-triazol-3-yl)phenol
PubChem CID135626900
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-(4,5-dimethyl-1,2,4-triazol-3-yl)phenol
SMILESCc1nnc(-c2ccccc2O)n1C
InChIInChI=1S/C10H11N3O/c1-7-11-12-10(13(7)2)8-5-3-4-6-9(8)14/h3-6,14H,1-2H3
InChIKeyBGSRDHJHUUWEMD-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylbenzimidazol-2-yl)phenol
CID 139198195
2-(5-chloro-1-methylimidazol-2-yl)phenol
CID 137000627
ethyl 2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 135547374
3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 137006539
4-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile
CID 1435146
3-(4,5-dimethyl-1,2,4-triazol-3-yl)thieno[2,3-b]pyridine
CID 59796423
2-(6-chloro-1-methylbenzimidazol-2-yl)phenol
CID 137002817
2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
CID 137006538
2-[1-(2-hydroxyphenyl)imidazol-2-yl]phenol
CID 135817525
2-(6-amino-5-methylpyridazin-3-yl)phenol
CID 145145780
3-(4,5-dimethyl-1,2,4-triazol-3-yl)benzoic acid
CID 62926892
3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 11617680

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)phenol (CID 135626900) is 2-(4,5-dimethyl-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)phenol is Cc1nnc(-c2ccccc2O)n1C.
What is the InChIKey of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)phenol?
The InChIKey is BGSRDHJHUUWEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-11-12-10(13(7)2)8-5-3-4-6-9(8)14/h3-6,14H,1-2H3.
What are the key properties of 2-(4,5-dimethyl-1,2,4-triazol-3-yl)phenol?
2-(4,5-dimethyl-1,2,4-triazol-3-yl)phenol has a molecular weight of 189.22 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 135626900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).