1-[(4-methylphenoxy)methyl]-1,2,4-triazole

C10H11N3O — CID 23517766

IUPAC1-[(4-methylphenoxy)methyl]-1,2,4-triazole
SMILESCc1ccc(OCn2cncn2)cc1
InChIInChI=1S/C10H11N3O/c1-9-2-4-10(5-3-9)14-8-13-7-11-6-12-13/h2-7H,8H2,1H3
InChIKeyVBEKKLFVDRHENF-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.62
Rot. Bonds3

About 1-[(4-methylphenoxy)methyl]-1,2,4-triazole

1-[(4-methylphenoxy)methyl]-1,2,4-triazole (PubChem CID 23517766) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-[(4-methylphenoxy)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(4-methylphenoxy)methyl]-1,2,4-triazole
PubChem CID23517766
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name1-[(4-methylphenoxy)methyl]-1,2,4-triazole
SMILESCc1ccc(OCn2cncn2)cc1
InChIInChI=1S/C10H11N3O/c1-9-2-4-10(5-3-9)14-8-13-7-11-6-12-13/h2-7H,8H2,1H3
InChIKeyVBEKKLFVDRHENF-UHFFFAOYSA-N
XLogP1.62
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-[(4-methylphenyl)methoxy]-1-[4-(1,2,4-triazol-1-ylmethoxy)phenyl]ethanimine
CID 118974990
1-[(4-methylphenoxy)methyl]imidazole
CID 15555875
1-[(4-methylphenyl)methyl]-1,2,4-triazole;hydrochloride
CID 20552296
N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51077253
ethyl 4-[2-(1,2,4-triazol-1-yl)ethoxy]benzoate
CID 13457584
(2S)-2-methyl-N-[(2R)-2-(4-methylphenoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 92557955
1-[2-[2-(4-phenylphenoxy)ethoxy]ethyl]-1,2,4-triazole
CID 2199683
[4-(1,2,4-triazol-1-ylmethyl)phenyl] methanesulfonate
CID 162357919
4-[3-(1,2,4-triazol-1-yl)propoxy]benzonitrile
CID 43289176
N-[(4-methylphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 43673355
2-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111276632
1-(4-iodophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol
CID 58149518

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenoxy)methyl]-1,2,4-triazole?
The IUPAC name of 1-[(4-methylphenoxy)methyl]-1,2,4-triazole (CID 23517766) is 1-[(4-methylphenoxy)methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[(4-methylphenoxy)methyl]-1,2,4-triazole?
The canonical SMILES for 1-[(4-methylphenoxy)methyl]-1,2,4-triazole is Cc1ccc(OCn2cncn2)cc1.
What is the InChIKey of 1-[(4-methylphenoxy)methyl]-1,2,4-triazole?
The InChIKey is VBEKKLFVDRHENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-9-2-4-10(5-3-9)14-8-13-7-11-6-12-13/h2-7H,8H2,1H3.
What are the key properties of 1-[(4-methylphenoxy)methyl]-1,2,4-triazole?
1-[(4-methylphenoxy)methyl]-1,2,4-triazole has a molecular weight of 189.22 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenoxy)methyl]-1,2,4-triazole is sourced from PubChem (CID 23517766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).