2-[7-(2-methylpropyl)-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]-N-(2-phenoxyethyl)acetamide

C19H25N5O3 — CID 171150302

IUPAC2-[7-(2-methylpropyl)-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]-N-(2-phenoxyethyl)acetamide
SMILESCC(C)CC1C(=O)N(CC(=O)NCCOc2ccccc2)Cc2cnnn21
InChIInChI=1S/C19H25N5O3/c1-14(2)10-17-19(26)23(12-15-11-21-22-24(15)17)13-18(25)20-8-9-27-16-6-4-3-5-7-16/h3-7,11,14,17H,8-10,12-13H2,1-2H3,(H,20,25)
InChIKeyZTMPTQRTRXDMHG-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.40
Rot. Bonds8

About 2-[7-(2-methylpropyl)-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]-N-(2-phenoxyethyl)acetamide

2-[7-(2-methylpropyl)-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]-N-(2-phenoxyethyl)acetamide (PubChem CID 171150302) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[7-(2-methylpropyl)-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-[7-(2-methylpropyl)-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]-N-(2-phenoxyethyl)acetamide
PubChem CID171150302
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name2-[7-(2-methylpropyl)-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]-N-(2-phenoxyethyl)acetamide
SMILESCC(C)CC1C(=O)N(CC(=O)NCCOc2ccccc2)Cc2cnnn21
InChIInChI=1S/C19H25N5O3/c1-14(2)10-17-19(26)23(12-15-11-21-22-24(15)17)13-18(25)20-8-9-27-16-6-4-3-5-7-16/h3-7,11,14,17H,8-10,12-13H2,1-2H3,(H,20,25)
InChIKeyZTMPTQRTRXDMHG-UHFFFAOYSA-N
XLogP1.40
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-phenoxyethyl)acetamide
CID 51146551
2-(4-butyl-6-oxo-1,3-diazinan-1-yl)-N-(2-phenoxyethyl)acetamide
CID 75119623
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide
CID 55012849
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 120663762
4-hydroxy-N-(2-phenoxyethyl)pentanamide
CID 79191898
N-(2-phenoxyethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626763
3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione
CID 64878643
N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide
CID 55017381
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 81493988
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenoxyethyl)acetamide
CID 27234230
2-(ethylamino)-N-(2-phenoxyethyl)acetamide
CID 60672813
N-[2-(4-acetylphenoxy)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 23610251

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-methylpropyl)-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-[7-(2-methylpropyl)-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]-N-(2-phenoxyethyl)acetamide (CID 171150302) is 2-[7-(2-methylpropyl)-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-[7-(2-methylpropyl)-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-[7-(2-methylpropyl)-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]-N-(2-phenoxyethyl)acetamide is CC(C)CC1C(=O)N(CC(=O)NCCOc2ccccc2)Cc2cnnn21.
What is the InChIKey of 2-[7-(2-methylpropyl)-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]-N-(2-phenoxyethyl)acetamide?
The InChIKey is ZTMPTQRTRXDMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-14(2)10-17-19(26)23(12-15-11-21-22-24(15)17)13-18(25)20-8-9-27-16-6-4-3-5-7-16/h3-7,11,14,17H,8-10,12-13H2,1-2H3,(H,20,25).
What are the key properties of 2-[7-(2-methylpropyl)-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]-N-(2-phenoxyethyl)acetamide?
2-[7-(2-methylpropyl)-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]-N-(2-phenoxyethyl)acetamide has a molecular weight of 371.44 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-methylpropyl)-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 171150302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).