2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenol

C10H11N3O — CID 115017760

IUPAC2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenol
SMILESCn1ncnc1Cc1ccccc1O
InChIInChI=1S/C10H11N3O/c1-13-10(11-7-12-13)6-8-4-2-3-5-9(8)14/h2-5,7,14H,6H2,1H3
InChIKeyHWZVTHKLIKNFGX-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.11
Rot. Bonds2

About 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenol

2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenol (PubChem CID 115017760) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenol
PubChem CID115017760
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenol
SMILESCn1ncnc1Cc1ccccc1O
InChIInChI=1S/C10H11N3O/c1-13-10(11-7-12-13)6-8-4-2-3-5-9(8)14/h2-5,7,14H,6H2,1H3
InChIKeyHWZVTHKLIKNFGX-UHFFFAOYSA-N
XLogP1.11
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenyl]methanamine
CID 114286946
1-(3-ethyl-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 82730025
ethane;5-ethyl-1-methyl-1,2,4-triazole
CID 164877506
2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 14452296
2-chloro-5-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridine
CID 178122835
2-benzyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol
CID 79450172
2-(imidazo[1,5-a]pyridin-3-ylmethyl)phenol
CID 117139622
1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 112575472
2-methyl-1-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111705163
2-methyl-3-(2-methyl-1,2,4-triazol-3-yl)-2-phenylpropanoic acid
CID 62697589
(2S)-1-(2-fluorophenyl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 124620014
1-(2-methylsulfanylphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 115812649

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenol?
The IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenol (CID 115017760) is 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenol.
What is the SMILES notation for 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenol?
The canonical SMILES for 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenol is Cn1ncnc1Cc1ccccc1O.
What is the InChIKey of 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenol?
The InChIKey is HWZVTHKLIKNFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-13-10(11-7-12-13)6-8-4-2-3-5-9(8)14/h2-5,7,14H,6H2,1H3.
What are the key properties of 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenol?
2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenol has a molecular weight of 189.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenol is sourced from PubChem (CID 115017760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).