2-methyl-N-(1-oxothiolan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine

C11H14N4OS — CID 127922023

IUPAC2-methyl-N-(1-oxothiolan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NC3CCS(=O)C3)nccn2n1
InChIInChI=1S/C11H14N4OS/c1-8-6-10-11(12-3-4-15(10)14-8)13-9-2-5-17(16)7-9/h3-4,6,9H,2,5,7H2,1H3,(H,12,13)
InChIKeyIKVQYBFVWDMYFZ-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.97
Rot. Bonds2

About 2-methyl-N-(1-oxothiolan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine

2-methyl-N-(1-oxothiolan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 127922023) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-methyl-N-(1-oxothiolan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(1-oxothiolan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID127922023
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-methyl-N-(1-oxothiolan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NC3CCS(=O)C3)nccn2n1
InChIInChI=1S/C11H14N4OS/c1-8-6-10-11(12-3-4-15(10)14-8)13-9-2-5-17(16)7-9/h3-4,6,9H,2,5,7H2,1H3,(H,12,13)
InChIKeyIKVQYBFVWDMYFZ-UHFFFAOYSA-N
XLogP0.97
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-oxothiolan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-methyl-N-(1-oxothiolan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine (CID 127922023) is 2-methyl-N-(1-oxothiolan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-methyl-N-(1-oxothiolan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-methyl-N-(1-oxothiolan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine is Cc1cc2c(NC3CCS(=O)C3)nccn2n1.
What is the InChIKey of 2-methyl-N-(1-oxothiolan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is IKVQYBFVWDMYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-8-6-10-11(12-3-4-15(10)14-8)13-9-2-5-17(16)7-9/h3-4,6,9H,2,5,7H2,1H3,(H,12,13).
What are the key properties of 2-methyl-N-(1-oxothiolan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine?
2-methyl-N-(1-oxothiolan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 250.33 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-oxothiolan-3-yl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 127922023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).