3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one

C12H19N5O — CID 59995700

IUPAC3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one
SMILESCCC(CC)n1nc(C)c2[nH]c(=O)c(NC)nc21
InChIInChI=1S/C12H19N5O/c1-5-8(6-2)17-11-9(7(3)16-17)14-12(18)10(13-4)15-11/h8H,5-6H2,1-4H3,(H,13,15)(H,14,18)
InChIKeyVEKFTKILCNXLJQ-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.83
Rot. Bonds4

About 3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one

3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one (PubChem CID 59995700) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one.

Molecular Properties

Compound Name3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one
PubChem CID59995700
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one
SMILESCCC(CC)n1nc(C)c2[nH]c(=O)c(NC)nc21
InChIInChI=1S/C12H19N5O/c1-5-8(6-2)17-11-9(7(3)16-17)14-12(18)10(13-4)15-11/h8H,5-6H2,1-4H3,(H,13,15)(H,14,18)
InChIKeyVEKFTKILCNXLJQ-UHFFFAOYSA-N
XLogP1.83
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one?
The IUPAC name of 3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one (CID 59995700) is 3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one.
What is the SMILES notation for 3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one?
The canonical SMILES for 3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one is CCC(CC)n1nc(C)c2[nH]c(=O)c(NC)nc21.
What is the InChIKey of 3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one?
The InChIKey is VEKFTKILCNXLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-5-8(6-2)17-11-9(7(3)16-17)14-12(18)10(13-4)15-11/h8H,5-6H2,1-4H3,(H,13,15)(H,14,18).
What are the key properties of 3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one?
3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one has a molecular weight of 249.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(methylamino)-1-pentan-3-yl-4H-pyrazolo[4,5-b]pyrazin-5-one is sourced from PubChem (CID 59995700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).