4-(2,5-dimethoxyphenyl)-3-(propan-2-yloxymethyl)-1,2,4-triazole

C14H19N3O3 — CID 56700493

IUPAC4-(2,5-dimethoxyphenyl)-3-(propan-2-yloxymethyl)-1,2,4-triazole
SMILESCOc1ccc(OC)c(-n2cnnc2COC(C)C)c1
InChIInChI=1S/C14H19N3O3/c1-10(2)20-8-14-16-15-9-17(14)12-7-11(18-3)5-6-13(12)19-4/h5-7,9-10H,8H2,1-4H3
InChIKeyIEZOXBVBPKGFGL-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.21
Rot. Bonds6

About 4-(2,5-dimethoxyphenyl)-3-(propan-2-yloxymethyl)-1,2,4-triazole

4-(2,5-dimethoxyphenyl)-3-(propan-2-yloxymethyl)-1,2,4-triazole (PubChem CID 56700493) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-3-(propan-2-yloxymethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-3-(propan-2-yloxymethyl)-1,2,4-triazole
PubChem CID56700493
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-(2,5-dimethoxyphenyl)-3-(propan-2-yloxymethyl)-1,2,4-triazole
SMILESCOc1ccc(OC)c(-n2cnnc2COC(C)C)c1
InChIInChI=1S/C14H19N3O3/c1-10(2)20-8-14-16-15-9-17(14)12-7-11(18-3)5-6-13(12)19-4/h5-7,9-10H,8H2,1-4H3
InChIKeyIEZOXBVBPKGFGL-UHFFFAOYSA-N
XLogP2.21
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-3-(propan-2-yloxymethyl)-1,2,4-triazole?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-3-(propan-2-yloxymethyl)-1,2,4-triazole (CID 56700493) is 4-(2,5-dimethoxyphenyl)-3-(propan-2-yloxymethyl)-1,2,4-triazole.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-3-(propan-2-yloxymethyl)-1,2,4-triazole?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-3-(propan-2-yloxymethyl)-1,2,4-triazole is COc1ccc(OC)c(-n2cnnc2COC(C)C)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-3-(propan-2-yloxymethyl)-1,2,4-triazole?
The InChIKey is IEZOXBVBPKGFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10(2)20-8-14-16-15-9-17(14)12-7-11(18-3)5-6-13(12)19-4/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 4-(2,5-dimethoxyphenyl)-3-(propan-2-yloxymethyl)-1,2,4-triazole?
4-(2,5-dimethoxyphenyl)-3-(propan-2-yloxymethyl)-1,2,4-triazole has a molecular weight of 277.32 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-3-(propan-2-yloxymethyl)-1,2,4-triazole is sourced from PubChem (CID 56700493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).