1-[2-(2-tert-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-6-methylpyridin-2-one

C19H28N4O — CID 72875624

IUPAC1-[2-(2-tert-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCc1nc(C2CCCC2)nn1C(C)(C)C
InChIInChI=1S/C19H28N4O/c1-14-8-7-11-17(24)22(14)13-12-16-20-18(15-9-5-6-10-15)21-23(16)19(2,3)4/h7-8,11,15H,5-6,9-10,12-13H2,1-4H3
InChIKeyUSDNPPKKCINUKZ-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.40
Rot. Bonds4

About 1-[2-(2-tert-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-6-methylpyridin-2-one

1-[2-(2-tert-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-6-methylpyridin-2-one (PubChem CID 72875624) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[2-(2-tert-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-tert-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-6-methylpyridin-2-one
PubChem CID72875624
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1-[2-(2-tert-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCc1nc(C2CCCC2)nn1C(C)(C)C
InChIInChI=1S/C19H28N4O/c1-14-8-7-11-17(24)22(14)13-12-16-20-18(15-9-5-6-10-15)21-23(16)19(2,3)4/h7-8,11,15H,5-6,9-10,12-13H2,1-4H3
InChIKeyUSDNPPKKCINUKZ-UHFFFAOYSA-N
XLogP3.40
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-tert-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[2-(2-tert-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-6-methylpyridin-2-one (CID 72875624) is 1-[2-(2-tert-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(2-tert-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[2-(2-tert-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1CCc1nc(C2CCCC2)nn1C(C)(C)C.
What is the InChIKey of 1-[2-(2-tert-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-6-methylpyridin-2-one?
The InChIKey is USDNPPKKCINUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14-8-7-11-17(24)22(14)13-12-16-20-18(15-9-5-6-10-15)21-23(16)19(2,3)4/h7-8,11,15H,5-6,9-10,12-13H2,1-4H3.
What are the key properties of 1-[2-(2-tert-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-6-methylpyridin-2-one?
1-[2-(2-tert-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-6-methylpyridin-2-one has a molecular weight of 328.46 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-tert-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-6-methylpyridin-2-one is sourced from PubChem (CID 72875624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).