5-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one

C11H16N4O — CID 104735161

IUPAC5-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCNCC(C)Cn1ccn2nccc2c1=O
InChIInChI=1S/C11H16N4O/c1-9(7-12-2)8-14-5-6-15-10(11(14)16)3-4-13-15/h3-6,9,12H,7-8H2,1-2H3
InChIKeyCFFVMZKDHOZCSO-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.35
Rot. Bonds4

About 5-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one

5-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104735161) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104735161
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCNCC(C)Cn1ccn2nccc2c1=O
InChIInChI=1S/C11H16N4O/c1-9(7-12-2)8-14-5-6-15-10(11(14)16)3-4-13-15/h3-6,9,12H,7-8H2,1-2H3
InChIKeyCFFVMZKDHOZCSO-UHFFFAOYSA-N
XLogP0.35
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one (CID 104735161) is 5-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one is CNCC(C)Cn1ccn2nccc2c1=O.
What is the InChIKey of 5-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is CFFVMZKDHOZCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-9(7-12-2)8-14-5-6-15-10(11(14)16)3-4-13-15/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of 5-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one?
5-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 220.28 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104735161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).