5-propyl-3-(2,4,5-trimethoxyphenyl)-1H-1,2,4-triazole

C14H19N3O3 — CID 61336925

IUPAC5-propyl-3-(2,4,5-trimethoxyphenyl)-1H-1,2,4-triazole
SMILESCCCc1nc(-c2cc(OC)c(OC)cc2OC)n[nH]1
InChIInChI=1S/C14H19N3O3/c1-5-6-13-15-14(17-16-13)9-7-11(19-3)12(20-4)8-10(9)18-2/h7-8H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyWPXZBMWQKGHHSO-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.45
Rot. Bonds6

About 5-propyl-3-(2,4,5-trimethoxyphenyl)-1H-1,2,4-triazole

5-propyl-3-(2,4,5-trimethoxyphenyl)-1H-1,2,4-triazole (PubChem CID 61336925) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-propyl-3-(2,4,5-trimethoxyphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-propyl-3-(2,4,5-trimethoxyphenyl)-1H-1,2,4-triazole
PubChem CID61336925
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-propyl-3-(2,4,5-trimethoxyphenyl)-1H-1,2,4-triazole
SMILESCCCc1nc(-c2cc(OC)c(OC)cc2OC)n[nH]1
InChIInChI=1S/C14H19N3O3/c1-5-6-13-15-14(17-16-13)9-7-11(19-3)12(20-4)8-10(9)18-2/h7-8H,5-6H2,1-4H3,(H,15,16,17)
InChIKeyWPXZBMWQKGHHSO-UHFFFAOYSA-N
XLogP2.45
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-3-(2,4,5-trimethoxyphenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-propyl-3-(2,4,5-trimethoxyphenyl)-1H-1,2,4-triazole (CID 61336925) is 5-propyl-3-(2,4,5-trimethoxyphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-propyl-3-(2,4,5-trimethoxyphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-propyl-3-(2,4,5-trimethoxyphenyl)-1H-1,2,4-triazole is CCCc1nc(-c2cc(OC)c(OC)cc2OC)n[nH]1.
What is the InChIKey of 5-propyl-3-(2,4,5-trimethoxyphenyl)-1H-1,2,4-triazole?
The InChIKey is WPXZBMWQKGHHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-5-6-13-15-14(17-16-13)9-7-11(19-3)12(20-4)8-10(9)18-2/h7-8H,5-6H2,1-4H3,(H,15,16,17).
What are the key properties of 5-propyl-3-(2,4,5-trimethoxyphenyl)-1H-1,2,4-triazole?
5-propyl-3-(2,4,5-trimethoxyphenyl)-1H-1,2,4-triazole has a molecular weight of 277.32 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3-(2,4,5-trimethoxyphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 61336925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).