7-(2-methoxyethoxy)-3-(1-phenylethyl)-5H-pyrazolo[4,3-d]triazin-4-one

C15H17N5O3 — CID 136880499

IUPAC7-(2-methoxyethoxy)-3-(1-phenylethyl)-5H-pyrazolo[4,3-d]triazin-4-one
SMILESCOCCOc1n[nH]c2c(=O)n(C(C)c3ccccc3)nnc12
InChIInChI=1S/C15H17N5O3/c1-10(11-6-4-3-5-7-11)20-15(21)13-12(17-19-20)14(18-16-13)23-9-8-22-2/h3-7,10H,8-9H2,1-2H3,(H,16,18)
InChIKeyVMXVOBDCALRCET-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.15
Rot. Bonds6

About 7-(2-methoxyethoxy)-3-(1-phenylethyl)-5H-pyrazolo[4,3-d]triazin-4-one

7-(2-methoxyethoxy)-3-(1-phenylethyl)-5H-pyrazolo[4,3-d]triazin-4-one (PubChem CID 136880499) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 7-(2-methoxyethoxy)-3-(1-phenylethyl)-5H-pyrazolo[4,3-d]triazin-4-one.

Molecular Properties

Compound Name7-(2-methoxyethoxy)-3-(1-phenylethyl)-5H-pyrazolo[4,3-d]triazin-4-one
PubChem CID136880499
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name7-(2-methoxyethoxy)-3-(1-phenylethyl)-5H-pyrazolo[4,3-d]triazin-4-one
SMILESCOCCOc1n[nH]c2c(=O)n(C(C)c3ccccc3)nnc12
InChIInChI=1S/C15H17N5O3/c1-10(11-6-4-3-5-7-11)20-15(21)13-12(17-19-20)14(18-16-13)23-9-8-22-2/h3-7,10H,8-9H2,1-2H3,(H,16,18)
InChIKeyVMXVOBDCALRCET-UHFFFAOYSA-N
XLogP1.15
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(1-phenylethyl)-4-(1-phenylethylamino)-6H-triazolo[4,5-d]pyridazin-7-one
CID 10618512
1-(1-phenylethyl)-4-(2-phenylhydrazinyl)-6H-triazolo[4,5-d]pyridazin-7-one
CID 10617639
[5-methyl-1-(1-phenylethyl)triazol-4-yl]methanol
CID 82206167
2-but-2-ynoxy-1-[5-fluoro-3-[(1R)-1-phenylethyl]triazol-4-yl]-2,2-dimethoxyethanone
CID 167321291
propyl 5-chloro-3-[(1R)-1-phenylethyl]triazole-4-carboxylate
CID 167321437
[5-(4-fluorophenyl)-1-(1-phenylethyl)triazol-4-yl]methanol
CID 82206224
5-(2-methylpropyl)-1-(1-phenylethyl)triazole-4-carboxylic acid
CID 82206153
2-(2-fluorophenyl)-N-(2-methoxyethyl)-3,5-dioxo-4-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93158841
1-[5-chloro-3-[(1R)-1-phenylethyl]triazol-4-yl]ethanone
CID 167321455
2-[5-methyl-1-(1-phenylethyl)triazol-4-yl]ethanamine
CID 82206303
1-[5-chloro-3-[(1R)-1-phenylethyl]triazol-4-yl]-2-ethoxy-2,2-dimethoxyethanone
CID 167321392
2-(1-phenylethyl)-4H-1,2,4-triazol-3-one
CID 137099420

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethoxy)-3-(1-phenylethyl)-5H-pyrazolo[4,3-d]triazin-4-one?
The IUPAC name of 7-(2-methoxyethoxy)-3-(1-phenylethyl)-5H-pyrazolo[4,3-d]triazin-4-one (CID 136880499) is 7-(2-methoxyethoxy)-3-(1-phenylethyl)-5H-pyrazolo[4,3-d]triazin-4-one.
What is the SMILES notation for 7-(2-methoxyethoxy)-3-(1-phenylethyl)-5H-pyrazolo[4,3-d]triazin-4-one?
The canonical SMILES for 7-(2-methoxyethoxy)-3-(1-phenylethyl)-5H-pyrazolo[4,3-d]triazin-4-one is COCCOc1n[nH]c2c(=O)n(C(C)c3ccccc3)nnc12.
What is the InChIKey of 7-(2-methoxyethoxy)-3-(1-phenylethyl)-5H-pyrazolo[4,3-d]triazin-4-one?
The InChIKey is VMXVOBDCALRCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-10(11-6-4-3-5-7-11)20-15(21)13-12(17-19-20)14(18-16-13)23-9-8-22-2/h3-7,10H,8-9H2,1-2H3,(H,16,18).
What are the key properties of 7-(2-methoxyethoxy)-3-(1-phenylethyl)-5H-pyrazolo[4,3-d]triazin-4-one?
7-(2-methoxyethoxy)-3-(1-phenylethyl)-5H-pyrazolo[4,3-d]triazin-4-one has a molecular weight of 315.33 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethoxy)-3-(1-phenylethyl)-5H-pyrazolo[4,3-d]triazin-4-one is sourced from PubChem (CID 136880499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).