3-pentyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-2-one

C11H13F3N4O — CID 66879779

IUPAC3-pentyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCCCCCn1c(=O)[nH]c2ncc(C(F)(F)F)nc21
InChIInChI=1S/C11H13F3N4O/c1-2-3-4-5-18-9-8(17-10(18)19)15-6-7(16-9)11(12,13)14/h6H,2-5H2,1H3,(H,15,17,19)
InChIKeyBIKLCPLLQRJVRG-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.33
Rot. Bonds4

About 3-pentyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-2-one

3-pentyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 66879779) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 3-pentyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-pentyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID66879779
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name3-pentyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCCCCCn1c(=O)[nH]c2ncc(C(F)(F)F)nc21
InChIInChI=1S/C11H13F3N4O/c1-2-3-4-5-18-9-8(17-10(18)19)15-6-7(16-9)11(12,13)14/h6H,2-5H2,1H3,(H,15,17,19)
InChIKeyBIKLCPLLQRJVRG-UHFFFAOYSA-N
XLogP2.33
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-pentyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-pentyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-pentyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 66879779) is 3-pentyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-pentyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-pentyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-2-one is CCCCCn1c(=O)[nH]c2ncc(C(F)(F)F)nc21.
What is the InChIKey of 3-pentyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is BIKLCPLLQRJVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c1-2-3-4-5-18-9-8(17-10(18)19)15-6-7(16-9)11(12,13)14/h6H,2-5H2,1H3,(H,15,17,19).
What are the key properties of 3-pentyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-2-one?
3-pentyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 274.25 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-5-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 66879779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).