5-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one

C11H11N5OS — CID 104735002

IUPAC5-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(Cc3csc(N)n3)ccn2n1
InChIInChI=1S/C11H11N5OS/c1-7-4-9-10(17)15(2-3-16(9)14-7)5-8-6-18-11(12)13-8/h2-4,6H,5H2,1H3,(H2,12,13)
InChIKeyPRJNEGRNHLGCPK-UHFFFAOYSA-N
MW261.31 g/mol
LogP0.89
Rot. Bonds2

About 5-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one

5-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104735002) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 5-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
PubChem CID104735002
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name5-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cc2c(=O)n(Cc3csc(N)n3)ccn2n1
InChIInChI=1S/C11H11N5OS/c1-7-4-9-10(17)15(2-3-16(9)14-7)5-8-6-18-11(12)13-8/h2-4,6H,5H2,1H3,(H2,12,13)
InChIKeyPRJNEGRNHLGCPK-UHFFFAOYSA-N
XLogP0.89
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one (CID 104735002) is 5-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one is Cc1cc2c(=O)n(Cc3csc(N)n3)ccn2n1.
What is the InChIKey of 5-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is PRJNEGRNHLGCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c1-7-4-9-10(17)15(2-3-16(9)14-7)5-8-6-18-11(12)13-8/h2-4,6H,5H2,1H3,(H2,12,13).
What are the key properties of 5-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one?
5-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 261.31 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-1,3-thiazol-4-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104735002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).