5-[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]-6-ethyl-1H-pyridin-2-one

C19H24N6O — CID 163309689

IUPAC5-[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]-6-ethyl-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)ccc1-c1nc(C2CCCC2)nn1CCc1cnc[nH]1
InChIInChI=1S/C19H24N6O/c1-2-16-15(7-8-17(26)22-16)19-23-18(13-5-3-4-6-13)24-25(19)10-9-14-11-20-12-21-14/h7-8,11-13H,2-6,9-10H2,1H3,(H,20,21)(H,22,26)
InChIKeyVRDHYFJAEOYEBG-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.82
Rot. Bonds6

About 5-[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]-6-ethyl-1H-pyridin-2-one

5-[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]-6-ethyl-1H-pyridin-2-one (PubChem CID 163309689) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]-6-ethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]-6-ethyl-1H-pyridin-2-one
PubChem CID163309689
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name5-[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]-6-ethyl-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)ccc1-c1nc(C2CCCC2)nn1CCc1cnc[nH]1
InChIInChI=1S/C19H24N6O/c1-2-16-15(7-8-17(26)22-16)19-23-18(13-5-3-4-6-13)24-25(19)10-9-14-11-20-12-21-14/h7-8,11-13H,2-6,9-10H2,1H3,(H,20,21)(H,22,26)
InChIKeyVRDHYFJAEOYEBG-UHFFFAOYSA-N
XLogP2.82
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]-6-ethyl-1H-pyridin-2-one?
The IUPAC name of 5-[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]-6-ethyl-1H-pyridin-2-one (CID 163309689) is 5-[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]-6-ethyl-1H-pyridin-2-one.
What is the SMILES notation for 5-[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]-6-ethyl-1H-pyridin-2-one?
The canonical SMILES for 5-[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]-6-ethyl-1H-pyridin-2-one is CCc1[nH]c(=O)ccc1-c1nc(C2CCCC2)nn1CCc1cnc[nH]1.
What is the InChIKey of 5-[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]-6-ethyl-1H-pyridin-2-one?
The InChIKey is VRDHYFJAEOYEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-2-16-15(7-8-17(26)22-16)19-23-18(13-5-3-4-6-13)24-25(19)10-9-14-11-20-12-21-14/h7-8,11-13H,2-6,9-10H2,1H3,(H,20,21)(H,22,26).
What are the key properties of 5-[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]-6-ethyl-1H-pyridin-2-one?
5-[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]-6-ethyl-1H-pyridin-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]-6-ethyl-1H-pyridin-2-one is sourced from PubChem (CID 163309689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).