cyclopentyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C18H22N4O2 — CID 134794667

IUPACcyclopentyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCOc1ccc(-c2nnc3n2CCN(C(=O)C2CCCC2)C3)cc1
InChIInChI=1S/C18H22N4O2/c1-24-15-8-6-13(7-9-15)17-20-19-16-12-21(10-11-22(16)17)18(23)14-4-2-3-5-14/h6-9,14H,2-5,10-12H2,1H3
InChIKeyWHPFTSNJFLYYKK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.49
Rot. Bonds3

About cyclopentyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

cyclopentyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 134794667) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is cyclopentyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID134794667
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Namecyclopentyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCOc1ccc(-c2nnc3n2CCN(C(=O)C2CCCC2)C3)cc1
InChIInChI=1S/C18H22N4O2/c1-24-15-8-6-13(7-9-15)17-20-19-16-12-21(10-11-22(16)17)18(23)14-4-2-3-5-14/h6-9,14H,2-5,10-12H2,1H3
InChIKeyWHPFTSNJFLYYKK-UHFFFAOYSA-N
XLogP2.49
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopentyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone 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 cyclopentyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of cyclopentyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 134794667) is cyclopentyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for cyclopentyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is COc1ccc(-c2nnc3n2CCN(C(=O)C2CCCC2)C3)cc1.
What is the InChIKey of cyclopentyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is WHPFTSNJFLYYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-15-8-6-13(7-9-15)17-20-19-16-12-21(10-11-22(16)17)18(23)14-4-2-3-5-14/h6-9,14H,2-5,10-12H2,1H3.
What are the key properties of cyclopentyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
cyclopentyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 134794667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).