5-[(2-amino-4-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one

C13H13N5O — CID 104735319

IUPAC5-[(2-amino-4-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(Cc3ccnc(N)c3)ccn2n1
InChIInChI=1S/C13H13N5O/c1-9-6-11-13(19)17(4-5-18(11)16-9)8-10-2-3-15-12(14)7-10/h2-7H,8H2,1H3,(H2,14,15)
InChIKeyMTLJRSIEZSDGSI-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.83
Rot. Bonds2

About 5-[(2-amino-4-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one

5-[(2-amino-4-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104735319) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-[(2-amino-4-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(2-amino-4-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID104735319
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name5-[(2-amino-4-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(Cc3ccnc(N)c3)ccn2n1
InChIInChI=1S/C13H13N5O/c1-9-6-11-13(19)17(4-5-18(11)16-9)8-10-2-3-15-12(14)7-10/h2-7H,8H2,1H3,(H2,14,15)
InChIKeyMTLJRSIEZSDGSI-UHFFFAOYSA-N
XLogP0.83
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-4-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(2-amino-4-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one (CID 104735319) is 5-[(2-amino-4-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(2-amino-4-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(2-amino-4-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one is Cc1cc2c(=O)n(Cc3ccnc(N)c3)ccn2n1.
What is the InChIKey of 5-[(2-amino-4-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is MTLJRSIEZSDGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-9-6-11-13(19)17(4-5-18(11)16-9)8-10-2-3-15-12(14)7-10/h2-7H,8H2,1H3,(H2,14,15).
What are the key properties of 5-[(2-amino-4-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
5-[(2-amino-4-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 255.28 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-4-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104735319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).