[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol

C10H11N3O — CID 7162035

IUPAC[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol
SMILESOCc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C10H11N3O/c14-6-10-3-1-9(2-4-10)5-13-8-11-7-12-13/h1-4,7-8,14H,5-6H2
InChIKeyXEOWXPICRQBFIT-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.82
Rot. Bonds3

About [4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol

[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol (PubChem CID 7162035) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is [4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol
PubChem CID7162035
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol
SMILESOCc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C10H11N3O/c14-6-10-3-1-9(2-4-10)5-13-8-11-7-12-13/h1-4,7-8,14H,5-6H2
InChIKeyXEOWXPICRQBFIT-UHFFFAOYSA-N
XLogP0.82
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2,4-triazol-1-ylmethyl)aniline
CID 821219
1-[(4-methylphenyl)methyl]-1,2,4-triazole;hydrochloride
CID 20552296
N-methyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 3322898
2,5-bis[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,3,4-oxadiazole
CID 102089796
N-tert-butyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 143722818
1-[(4-chloro-3-fluorophenyl)methyl]-1,2,4-triazole
CID 107887752
3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)anilino]propanoic acid
CID 62229939
2-ethyl-2-[[4-(1,2,4-triazol-1-ylmethyl)anilino]methyl]butan-1-ol
CID 81399724
dicopper;bis(pyridine-2,6-dicarboxylate);1-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,2,4-triazole;tetrahydrate
CID 139081457
piperidin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 53001379
[4-(1,2,4-triazol-1-ylmethyl)phenyl] methanesulfonate
CID 162357919
[4-(pyrazol-1-ylmethyl)phenyl]methanol
CID 16640562

Frequently Asked Questions

What is the IUPAC name of [4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol?
The IUPAC name of [4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol (CID 7162035) is [4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol.
What is the SMILES notation for [4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol?
The canonical SMILES for [4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol is OCc1ccc(Cn2cncn2)cc1.
What is the InChIKey of [4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol?
The InChIKey is XEOWXPICRQBFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c14-6-10-3-1-9(2-4-10)5-13-8-11-7-12-13/h1-4,7-8,14H,5-6H2.
What are the key properties of [4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol?
[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol has a molecular weight of 189.22 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol is sourced from PubChem (CID 7162035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).