2-methyl-N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine

C12H16N4S — CID 104924081

IUPAC2-methyl-N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESC=CCSCCNc1nccn2nc(C)cc12
InChIInChI=1S/C12H16N4S/c1-3-7-17-8-5-14-12-11-9-10(2)15-16(11)6-4-13-12/h3-4,6,9H,1,5,7-8H2,2H3,(H,13,14)
InChIKeyJOLZEXPMXSWDSY-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.37
Rot. Bonds6

About 2-methyl-N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine

2-methyl-N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104924081) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-methyl-N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104924081
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name2-methyl-N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESC=CCSCCNc1nccn2nc(C)cc12
InChIInChI=1S/C12H16N4S/c1-3-7-17-8-5-14-12-11-9-10(2)15-16(11)6-4-13-12/h3-4,6,9H,1,5,7-8H2,2H3,(H,13,14)
InChIKeyJOLZEXPMXSWDSY-UHFFFAOYSA-N
XLogP2.37
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-methyl-N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104924081) is 2-methyl-N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-methyl-N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine is C=CCSCCNc1nccn2nc(C)cc12.
What is the InChIKey of 2-methyl-N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is JOLZEXPMXSWDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-3-7-17-8-5-14-12-11-9-10(2)15-16(11)6-4-13-12/h3-4,6,9H,1,5,7-8H2,2H3,(H,13,14).
What are the key properties of 2-methyl-N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine?
2-methyl-N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 248.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-prop-2-enylsulfanylethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104924081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).