3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)butanamide

C15H20N4O2 — CID 15943634

IUPAC3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CC(C)n2nc(C)nc2C)cc1
InChIInChI=1S/C15H20N4O2/c1-10(19-12(3)16-11(2)18-19)9-15(20)17-13-5-7-14(21-4)8-6-13/h5-8,10H,9H2,1-4H3,(H,17,20)
InChIKeyPGDVECQGUOHCGV-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.49
Rot. Bonds5

About 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)butanamide

3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)butanamide (PubChem CID 15943634) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)butanamide
PubChem CID15943634
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CC(C)n2nc(C)nc2C)cc1
InChIInChI=1S/C15H20N4O2/c1-10(19-12(3)16-11(2)18-19)9-15(20)17-13-5-7-14(21-4)8-6-13/h5-8,10H,9H2,1-4H3,(H,17,20)
InChIKeyPGDVECQGUOHCGV-UHFFFAOYSA-N
XLogP2.49
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)butanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)butanamide (CID 15943634) is 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)butanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)butanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)butanamide is COc1ccc(NC(=O)CC(C)n2nc(C)nc2C)cc1.
What is the InChIKey of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)butanamide?
The InChIKey is PGDVECQGUOHCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(19-12(3)16-11(2)18-19)9-15(20)17-13-5-7-14(21-4)8-6-13/h5-8,10H,9H2,1-4H3,(H,17,20).
What are the key properties of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)butanamide?
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)butanamide has a molecular weight of 288.35 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 15943634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).