4-(3,4-dimethoxyphenyl)-2H-triazole

C10H11N3O2 — CID 56956503

IUPAC4-(3,4-dimethoxyphenyl)-2H-triazole
SMILESCOc1ccc(-c2cn[nH]n2)cc1OC
InChIInChI=1S/C10H11N3O2/c1-14-9-4-3-7(5-10(9)15-2)8-6-11-13-12-8/h3-6H,1-2H3,(H,11,12,13)
InChIKeyPMDLVPOGMVXPNE-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.49
Rot. Bonds3

About 4-(3,4-dimethoxyphenyl)-2H-triazole

4-(3,4-dimethoxyphenyl)-2H-triazole (PubChem CID 56956503) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2H-triazole.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2H-triazole
PubChem CID56956503
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name4-(3,4-dimethoxyphenyl)-2H-triazole
SMILESCOc1ccc(-c2cn[nH]n2)cc1OC
InChIInChI=1S/C10H11N3O2/c1-14-9-4-3-7(5-10(9)15-2)8-6-11-13-12-8/h3-6H,1-2H3,(H,11,12,13)
InChIKeyPMDLVPOGMVXPNE-UHFFFAOYSA-N
XLogP1.49
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2H-triazole?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2H-triazole (CID 56956503) is 4-(3,4-dimethoxyphenyl)-2H-triazole.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2H-triazole?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2H-triazole is COc1ccc(-c2cn[nH]n2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2H-triazole?
The InChIKey is PMDLVPOGMVXPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-14-9-4-3-7(5-10(9)15-2)8-6-11-13-12-8/h3-6H,1-2H3,(H,11,12,13).
What are the key properties of 4-(3,4-dimethoxyphenyl)-2H-triazole?
4-(3,4-dimethoxyphenyl)-2H-triazole has a molecular weight of 205.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2H-triazole is sourced from PubChem (CID 56956503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).