4-(4-methoxyphenyl)-2-propan-2-yl-5-propyltriazole

C15H21N3O — CID 59661297

IUPAC4-(4-methoxyphenyl)-2-propan-2-yl-5-propyltriazole
SMILESCCCc1nn(C(C)C)nc1-c1ccc(OC)cc1
InChIInChI=1S/C15H21N3O/c1-5-6-14-15(17-18(16-14)11(2)3)12-7-9-13(19-4)10-8-12/h7-11H,5-6H2,1-4H3
InChIKeyYOOVEBIFTZUITN-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.49
Rot. Bonds5

About 4-(4-methoxyphenyl)-2-propan-2-yl-5-propyltriazole

4-(4-methoxyphenyl)-2-propan-2-yl-5-propyltriazole (PubChem CID 59661297) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-propan-2-yl-5-propyltriazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-propan-2-yl-5-propyltriazole
PubChem CID59661297
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-(4-methoxyphenyl)-2-propan-2-yl-5-propyltriazole
SMILESCCCc1nn(C(C)C)nc1-c1ccc(OC)cc1
InChIInChI=1S/C15H21N3O/c1-5-6-14-15(17-18(16-14)11(2)3)12-7-9-13(19-4)10-8-12/h7-11H,5-6H2,1-4H3
InChIKeyYOOVEBIFTZUITN-UHFFFAOYSA-N
XLogP3.49
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.49
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-propan-2-yl-5-propyltriazole?
The IUPAC name of 4-(4-methoxyphenyl)-2-propan-2-yl-5-propyltriazole (CID 59661297) is 4-(4-methoxyphenyl)-2-propan-2-yl-5-propyltriazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-propan-2-yl-5-propyltriazole?
The canonical SMILES for 4-(4-methoxyphenyl)-2-propan-2-yl-5-propyltriazole is CCCc1nn(C(C)C)nc1-c1ccc(OC)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-propan-2-yl-5-propyltriazole?
The InChIKey is YOOVEBIFTZUITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-6-14-15(17-18(16-14)11(2)3)12-7-9-13(19-4)10-8-12/h7-11H,5-6H2,1-4H3.
What are the key properties of 4-(4-methoxyphenyl)-2-propan-2-yl-5-propyltriazole?
4-(4-methoxyphenyl)-2-propan-2-yl-5-propyltriazole has a molecular weight of 259.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-propan-2-yl-5-propyltriazole is sourced from PubChem (CID 59661297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).