1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole

C14H19N3O — CID 103866206

IUPAC1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole
SMILESCc1ccc(C(C)C)cc1OCc1cn(C)nn1
InChIInChI=1S/C14H19N3O/c1-10(2)12-6-5-11(3)14(7-12)18-9-13-8-17(4)16-15-13/h5-8,10H,9H2,1-4H3
InChIKeyZJQWAVPYRWRWES-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.83
Rot. Bonds4

About 1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole

1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole (PubChem CID 103866206) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole.

Molecular Properties

Compound Name1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole
PubChem CID103866206
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole
SMILESCc1ccc(C(C)C)cc1OCc1cn(C)nn1
InChIInChI=1S/C14H19N3O/c1-10(2)12-6-5-11(3)14(7-12)18-9-13-8-17(4)16-15-13/h5-8,10H,9H2,1-4H3
InChIKeyZJQWAVPYRWRWES-UHFFFAOYSA-N
XLogP2.83
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-fluoro-2-methylphenoxy)methyl]-1-methyltriazole
CID 102975429
(1R)-1-[3-methyl-4-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043902
1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
CID 78959342
1-butyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]tetrazole
CID 55390454
4-[(2-bromo-4-methylphenoxy)methyl]-1-methyltriazole
CID 103866242
N-methyl-1-[6-[(2-methyl-5-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908248
1,3-diethyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
CID 80998222
2-[(4-ethylphenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
CID 81005543
2-chloro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazole
CID 80607054
3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 55076540
(1S)-1-[5-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043853
(1S)-1-[4-bromo-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043932

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole?
The IUPAC name of 1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole (CID 103866206) is 1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole.
What is the SMILES notation for 1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole?
The canonical SMILES for 1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole is Cc1ccc(C(C)C)cc1OCc1cn(C)nn1.
What is the InChIKey of 1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole?
The InChIKey is ZJQWAVPYRWRWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)12-6-5-11(3)14(7-12)18-9-13-8-17(4)16-15-13/h5-8,10H,9H2,1-4H3.
What are the key properties of 1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole?
1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole has a molecular weight of 245.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]triazole is sourced from PubChem (CID 103866206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).