N-cyclopentyl-2-[7-[(3-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

C20H25N5O3 — CID 75528680

IUPACN-cyclopentyl-2-[7-[(3-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
SMILESCc1cccc(CN2CCn3c(nn(CC(=O)NC4CCCC4)c3=O)C2=O)c1
InChIInChI=1S/C20H25N5O3/c1-14-5-4-6-15(11-14)12-23-9-10-24-18(19(23)27)22-25(20(24)28)13-17(26)21-16-7-2-3-8-16/h4-6,11,16H,2-3,7-10,12-13H2,1H3,(H,21,26)
InChIKeyPXKGXDKKKMLKRV-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.07
Rot. Bonds5

About N-cyclopentyl-2-[7-[(3-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide

N-cyclopentyl-2-[7-[(3-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide (PubChem CID 75528680) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-cyclopentyl-2-[7-[(3-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[7-[(3-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
PubChem CID75528680
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-cyclopentyl-2-[7-[(3-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
SMILESCc1cccc(CN2CCn3c(nn(CC(=O)NC4CCCC4)c3=O)C2=O)c1
InChIInChI=1S/C20H25N5O3/c1-14-5-4-6-15(11-14)12-23-9-10-24-18(19(23)27)22-25(20(24)28)13-17(26)21-16-7-2-3-8-16/h4-6,11,16H,2-3,7-10,12-13H2,1H3,(H,21,26)
InChIKeyPXKGXDKKKMLKRV-UHFFFAOYSA-N
XLogP1.07
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-[7-[(2-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 171146210
2-[7-[(2-chlorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-cyclohexylacetamide
CID 166604038
N-cyclopentyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 3575531
2-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(3-methylphenyl)acetamide
CID 75528754
7-ethyl-2-[(3-methylphenyl)methyl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-3,8-dione
CID 75528580
N-[(4-fluorophenyl)methyl]-2-[7-[(3-fluorophenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide
CID 75528744
N-cyclopentyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20952521
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
N-cyclopropyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034567
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 93332426
2-[7-[(2,5-dimethylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 166604036
N-cyclohexyl-2-[(3-methylphenyl)methylamino]acetamide
CID 60903369

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[7-[(3-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[7-[(3-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide (CID 75528680) is N-cyclopentyl-2-[7-[(3-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[7-[(3-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[7-[(3-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide is Cc1cccc(CN2CCn3c(nn(CC(=O)NC4CCCC4)c3=O)C2=O)c1.
What is the InChIKey of N-cyclopentyl-2-[7-[(3-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?
The InChIKey is PXKGXDKKKMLKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-14-5-4-6-15(11-14)12-23-9-10-24-18(19(23)27)22-25(20(24)28)13-17(26)21-16-7-2-3-8-16/h4-6,11,16H,2-3,7-10,12-13H2,1H3,(H,21,26).
What are the key properties of N-cyclopentyl-2-[7-[(3-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide?
N-cyclopentyl-2-[7-[(3-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[7-[(3-methylphenyl)methyl]-3,8-dioxo-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamide is sourced from PubChem (CID 75528680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).