4-(2,5-dimethoxyphenyl)-3-methyl-1,2,4-triazole

C11H13N3O2 — CID 56700592

IUPAC4-(2,5-dimethoxyphenyl)-3-methyl-1,2,4-triazole
SMILESCOc1ccc(OC)c(-n2cnnc2C)c1
InChIInChI=1S/C11H13N3O2/c1-8-13-12-7-14(8)10-6-9(15-2)4-5-11(10)16-3/h4-7H,1-3H3
InChIKeyOXLZCKVMVJLNCD-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.59
Rot. Bonds3

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

4-(2,5-dimethoxyphenyl)-3-methyl-1,2,4-triazole (PubChem CID 56700592) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-3-methyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-3-methyl-1,2,4-triazole
PubChem CID56700592
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-(2,5-dimethoxyphenyl)-3-methyl-1,2,4-triazole
SMILESCOc1ccc(OC)c(-n2cnnc2C)c1
InChIInChI=1S/C11H13N3O2/c1-8-13-12-7-14(8)10-6-9(15-2)4-5-11(10)16-3/h4-7H,1-3H3
InChIKeyOXLZCKVMVJLNCD-UHFFFAOYSA-N
XLogP1.59
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethoxyphenyl)-3-methyl-1,2,4-triazole?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-3-methyl-1,2,4-triazole (CID 56700592) is 4-(2,5-dimethoxyphenyl)-3-methyl-1,2,4-triazole.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-3-methyl-1,2,4-triazole?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-3-methyl-1,2,4-triazole is COc1ccc(OC)c(-n2cnnc2C)c1.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-3-methyl-1,2,4-triazole?
The InChIKey is OXLZCKVMVJLNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8-13-12-7-14(8)10-6-9(15-2)4-5-11(10)16-3/h4-7H,1-3H3.
What are the key properties of 4-(2,5-dimethoxyphenyl)-3-methyl-1,2,4-triazole?
4-(2,5-dimethoxyphenyl)-3-methyl-1,2,4-triazole has a molecular weight of 219.24 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethoxyphenyl)-3-methyl-1,2,4-triazole is sourced from PubChem (CID 56700592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).