5-methyl-3-(phenoxymethyl)-1H-1,2,4-triazole

C10H11N3O — CID 43166862

IUPAC5-methyl-3-(phenoxymethyl)-1H-1,2,4-triazole
SMILESCc1nc(COc2ccccc2)n[nH]1
InChIInChI=1S/C10H11N3O/c1-8-11-10(13-12-8)7-14-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12,13)
InChIKeyIMVYEGVQAFGSPR-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.69
Rot. Bonds3

About 5-methyl-3-(phenoxymethyl)-1H-1,2,4-triazole

5-methyl-3-(phenoxymethyl)-1H-1,2,4-triazole (PubChem CID 43166862) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-methyl-3-(phenoxymethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-3-(phenoxymethyl)-1H-1,2,4-triazole
PubChem CID43166862
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name5-methyl-3-(phenoxymethyl)-1H-1,2,4-triazole
SMILESCc1nc(COc2ccccc2)n[nH]1
InChIInChI=1S/C10H11N3O/c1-8-11-10(13-12-8)7-14-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12,13)
InChIKeyIMVYEGVQAFGSPR-UHFFFAOYSA-N
XLogP1.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(phenoxymethyl)-1H-1,2,4-triazole?
The IUPAC name of 5-methyl-3-(phenoxymethyl)-1H-1,2,4-triazole (CID 43166862) is 5-methyl-3-(phenoxymethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-methyl-3-(phenoxymethyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-methyl-3-(phenoxymethyl)-1H-1,2,4-triazole is Cc1nc(COc2ccccc2)n[nH]1.
What is the InChIKey of 5-methyl-3-(phenoxymethyl)-1H-1,2,4-triazole?
The InChIKey is IMVYEGVQAFGSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-8-11-10(13-12-8)7-14-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12,13).
What are the key properties of 5-methyl-3-(phenoxymethyl)-1H-1,2,4-triazole?
5-methyl-3-(phenoxymethyl)-1H-1,2,4-triazole has a molecular weight of 189.22 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(phenoxymethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 43166862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).