1-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-3-(2-methoxyethyl)urea

C18H24N6O3 — CID 146068432

IUPAC1-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCc1nnn2c1CN(Cc1ccccc1)C(=O)C2C
InChIInChI=1S/C18H24N6O3/c1-13-17(25)23(11-14-6-4-3-5-7-14)12-16-15(21-22-24(13)16)10-20-18(26)19-8-9-27-2/h3-7,13H,8-12H2,1-2H3,(H2,19,20,26)
InChIKeyBFWCRSFDSDELJU-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.83
Rot. Bonds7

About 1-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-3-(2-methoxyethyl)urea

1-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-3-(2-methoxyethyl)urea (PubChem CID 146068432) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-3-(2-methoxyethyl)urea
PubChem CID146068432
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name1-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCc1nnn2c1CN(Cc1ccccc1)C(=O)C2C
InChIInChI=1S/C18H24N6O3/c1-13-17(25)23(11-14-6-4-3-5-7-14)12-16-15(21-22-24(13)16)10-20-18(26)19-8-9-27-2/h3-7,13H,8-12H2,1-2H3,(H2,19,20,26)
InChIKeyBFWCRSFDSDELJU-UHFFFAOYSA-N
XLogP0.83
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-1-ethylpyrazole-3-carboxamide
CID 146068429
N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide
CID 146068458
N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]oxane-4-carboxamide
CID 146068464
N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-4-ethylbenzenesulfonamide
CID 146068437
N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]propanamide
CID 146068410
(3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 165418850
N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,6-dimethoxypyridine-3-carboxamide
CID 146068482
5-benzyl-7-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one
CID 170635766
1-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-3-(2-methoxyethyl)urea
CID 90490351
N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,4-dimethylbenzamide
CID 146068490
2-(3-methoxyphenyl)-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]acetamide
CID 146068217
N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]pyridine-3-carboxamide
CID 146068406

Frequently Asked Questions

What is the IUPAC name of 1-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-3-(2-methoxyethyl)urea?
The IUPAC name of 1-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-3-(2-methoxyethyl)urea (CID 146068432) is 1-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-3-(2-methoxyethyl)urea is COCCNC(=O)NCc1nnn2c1CN(Cc1ccccc1)C(=O)C2C.
What is the InChIKey of 1-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-3-(2-methoxyethyl)urea?
The InChIKey is BFWCRSFDSDELJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-13-17(25)23(11-14-6-4-3-5-7-14)12-16-15(21-22-24(13)16)10-20-18(26)19-8-9-27-2/h3-7,13H,8-12H2,1-2H3,(H2,19,20,26).
What are the key properties of 1-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-3-(2-methoxyethyl)urea?
1-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-3-(2-methoxyethyl)urea has a molecular weight of 372.43 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-3-(2-methoxyethyl)urea is sourced from PubChem (CID 146068432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).