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

C13H17N3O2 — CID 56709322

IUPAC4-(2,5-dimethoxyphenyl)-3-propyl-1,2,4-triazole
SMILESCCCc1nncn1-c1cc(OC)ccc1OC
InChIInChI=1S/C13H17N3O2/c1-4-5-13-15-14-9-16(13)11-8-10(17-2)6-7-12(11)18-3/h6-9H,4-5H2,1-3H3
InChIKeyXQGSNQYFIYJWDI-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.24
Rot. Bonds5

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

4-(2,5-dimethoxyphenyl)-3-propyl-1,2,4-triazole (PubChem CID 56709322) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(2,5-dimethoxyphenyl)-3-propyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(2,5-dimethoxyphenyl)-3-propyl-1,2,4-triazole
PubChem CID56709322
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-(2,5-dimethoxyphenyl)-3-propyl-1,2,4-triazole
SMILESCCCc1nncn1-c1cc(OC)ccc1OC
InChIInChI=1S/C13H17N3O2/c1-4-5-13-15-14-9-16(13)11-8-10(17-2)6-7-12(11)18-3/h6-9H,4-5H2,1-3H3
InChIKeyXQGSNQYFIYJWDI-UHFFFAOYSA-N
XLogP2.24
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.24
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-propyl-1,2,4-triazole?
The IUPAC name of 4-(2,5-dimethoxyphenyl)-3-propyl-1,2,4-triazole (CID 56709322) is 4-(2,5-dimethoxyphenyl)-3-propyl-1,2,4-triazole.
What is the SMILES notation for 4-(2,5-dimethoxyphenyl)-3-propyl-1,2,4-triazole?
The canonical SMILES for 4-(2,5-dimethoxyphenyl)-3-propyl-1,2,4-triazole is CCCc1nncn1-c1cc(OC)ccc1OC.
What is the InChIKey of 4-(2,5-dimethoxyphenyl)-3-propyl-1,2,4-triazole?
The InChIKey is XQGSNQYFIYJWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-4-5-13-15-14-9-16(13)11-8-10(17-2)6-7-12(11)18-3/h6-9H,4-5H2,1-3H3.
What are the key properties of 4-(2,5-dimethoxyphenyl)-3-propyl-1,2,4-triazole?
4-(2,5-dimethoxyphenyl)-3-propyl-1,2,4-triazole has a molecular weight of 247.30 g/mol, XLogP of 2.24, 5 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-propyl-1,2,4-triazole is sourced from PubChem (CID 56709322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).