1-methyl-2,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-one

C7H11N3O — CID 138671961

IUPAC1-methyl-2,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN1CC=C2C(=O)NCCN21
InChIInChI=1S/C7H11N3O/c1-9-4-2-6-7(11)8-3-5-10(6)9/h2H,3-5H2,1H3,(H,8,11)
InChIKeyWVGOKDRIDMDXFE-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.84
Rot. Bonds

About 1-methyl-2,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-one

1-methyl-2,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 138671961) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 1-methyl-2,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name1-methyl-2,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID138671961
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name1-methyl-2,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN1CC=C2C(=O)NCCN21
InChIInChI=1S/C7H11N3O/c1-9-4-2-6-7(11)8-3-5-10(6)9/h2H,3-5H2,1H3,(H,8,11)
InChIKeyWVGOKDRIDMDXFE-UHFFFAOYSA-N
XLogP-0.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 1-methyl-2,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-one (CID 138671961) is 1-methyl-2,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 1-methyl-2,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 1-methyl-2,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-one is CN1CC=C2C(=O)NCCN21.
What is the InChIKey of 1-methyl-2,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is WVGOKDRIDMDXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-9-4-2-6-7(11)8-3-5-10(6)9/h2H,3-5H2,1H3,(H,8,11).
What are the key properties of 1-methyl-2,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-one?
1-methyl-2,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 153.19 g/mol, XLogP of -0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 138671961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).