4-(4-methoxyphenyl)-2-methyl-5-propyltriazole

C13H17N3O — CID 70307884

IUPAC4-(4-methoxyphenyl)-2-methyl-5-propyltriazole
SMILESCCCc1nn(C)nc1-c1ccc(OC)cc1
InChIInChI=1S/C13H17N3O/c1-4-5-12-13(15-16(2)14-12)10-6-8-11(17-3)9-7-10/h6-9H,4-5H2,1-3H3
InChIKeyXQJYMSLTDVEYSE-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.44
Rot. Bonds4

About 4-(4-methoxyphenyl)-2-methyl-5-propyltriazole

4-(4-methoxyphenyl)-2-methyl-5-propyltriazole (PubChem CID 70307884) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-methyl-5-propyltriazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-methyl-5-propyltriazole
PubChem CID70307884
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-(4-methoxyphenyl)-2-methyl-5-propyltriazole
SMILESCCCc1nn(C)nc1-c1ccc(OC)cc1
InChIInChI=1S/C13H17N3O/c1-4-5-12-13(15-16(2)14-12)10-6-8-11(17-3)9-7-10/h6-9H,4-5H2,1-3H3
InChIKeyXQJYMSLTDVEYSE-UHFFFAOYSA-N
XLogP2.44
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-methyl-5-propyltriazole?
The IUPAC name of 4-(4-methoxyphenyl)-2-methyl-5-propyltriazole (CID 70307884) is 4-(4-methoxyphenyl)-2-methyl-5-propyltriazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-methyl-5-propyltriazole?
The canonical SMILES for 4-(4-methoxyphenyl)-2-methyl-5-propyltriazole is CCCc1nn(C)nc1-c1ccc(OC)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-methyl-5-propyltriazole?
The InChIKey is XQJYMSLTDVEYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-5-12-13(15-16(2)14-12)10-6-8-11(17-3)9-7-10/h6-9H,4-5H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-2-methyl-5-propyltriazole?
4-(4-methoxyphenyl)-2-methyl-5-propyltriazole has a molecular weight of 231.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-methyl-5-propyltriazole is sourced from PubChem (CID 70307884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).