7-(2-methoxyethyl)-1-methyl-3-propyl-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one

C12H20N4O2 — CID 79305379

IUPAC7-(2-methoxyethyl)-1-methyl-3-propyl-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one
SMILESCCCc1nn(C)c2c1NC(=O)CN2CCOC
InChIInChI=1S/C12H20N4O2/c1-4-5-9-11-12(15(2)14-9)16(6-7-18-3)8-10(17)13-11/h4-8H2,1-3H3,(H,13,17)
InChIKeyPDNMTOOUUSYPQE-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.78
Rot. Bonds5

About 7-(2-methoxyethyl)-1-methyl-3-propyl-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one

7-(2-methoxyethyl)-1-methyl-3-propyl-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one (PubChem CID 79305379) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-1-methyl-3-propyl-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one.

Molecular Properties

Compound Name7-(2-methoxyethyl)-1-methyl-3-propyl-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one
PubChem CID79305379
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name7-(2-methoxyethyl)-1-methyl-3-propyl-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one
SMILESCCCc1nn(C)c2c1NC(=O)CN2CCOC
InChIInChI=1S/C12H20N4O2/c1-4-5-9-11-12(15(2)14-9)16(6-7-18-3)8-10(17)13-11/h4-8H2,1-3H3,(H,13,17)
InChIKeyPDNMTOOUUSYPQE-UHFFFAOYSA-N
XLogP0.78
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-1-methyl-3-propyl-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
The IUPAC name of 7-(2-methoxyethyl)-1-methyl-3-propyl-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one (CID 79305379) is 7-(2-methoxyethyl)-1-methyl-3-propyl-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one.
What is the SMILES notation for 7-(2-methoxyethyl)-1-methyl-3-propyl-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
The canonical SMILES for 7-(2-methoxyethyl)-1-methyl-3-propyl-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one is CCCc1nn(C)c2c1NC(=O)CN2CCOC.
What is the InChIKey of 7-(2-methoxyethyl)-1-methyl-3-propyl-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
The InChIKey is PDNMTOOUUSYPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-5-9-11-12(15(2)14-9)16(6-7-18-3)8-10(17)13-11/h4-8H2,1-3H3,(H,13,17).
What are the key properties of 7-(2-methoxyethyl)-1-methyl-3-propyl-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one?
7-(2-methoxyethyl)-1-methyl-3-propyl-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one has a molecular weight of 252.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-1-methyl-3-propyl-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one is sourced from PubChem (CID 79305379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).