2-[2-(2-ethoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C14H20N6O2 — CID 146045861

IUPAC2-[2-(2-ethoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCCOCCn1nc(C)nc1-c1cc2n(n1)CCN(C)C2=O
InChIInChI=1S/C14H20N6O2/c1-4-22-8-7-20-13(15-10(2)16-20)11-9-12-14(21)18(3)5-6-19(12)17-11/h9H,4-8H2,1-3H3
InChIKeyGFBBEAUCEUTNHL-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.57
Rot. Bonds5

About 2-[2-(2-ethoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

2-[2-(2-ethoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 146045861) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-(2-ethoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID146045861
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name2-[2-(2-ethoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCCOCCn1nc(C)nc1-c1cc2n(n1)CCN(C)C2=O
InChIInChI=1S/C14H20N6O2/c1-4-22-8-7-20-13(15-10(2)16-20)11-9-12-14(21)18(3)5-6-19(12)17-11/h9H,4-8H2,1-3H3
InChIKeyGFBBEAUCEUTNHL-UHFFFAOYSA-N
XLogP0.57
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-(2-ethoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 146045861) is 2-[2-(2-ethoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-(2-ethoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-(2-ethoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CCOCCn1nc(C)nc1-c1cc2n(n1)CCN(C)C2=O.
What is the InChIKey of 2-[2-(2-ethoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is GFBBEAUCEUTNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-4-22-8-7-20-13(15-10(2)16-20)11-9-12-14(21)18(3)5-6-19(12)17-11/h9H,4-8H2,1-3H3.
What are the key properties of 2-[2-(2-ethoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-[2-(2-ethoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 304.35 g/mol, XLogP of 0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethyl)-5-methyl-1,2,4-triazol-3-yl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 146045861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).