7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethene

C12H15N5S — CID 164570974

IUPAC7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethene
SMILESC=C.CSc1nc2c(C)c(C)nn2c(N)c1C#N
InChIInChI=1S/C10H11N5S.C2H4/c1-5-6(2)14-15-8(12)7(4-11)10(16-3)13-9(5)15;1-2/h12H2,1-3H3;1-2H2
InChIKeyYIGPAWKGFJAHMU-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.32
Rot. Bonds1

About 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethene

7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethene (PubChem CID 164570974) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethene.

Molecular Properties

Compound Name7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethene
PubChem CID164570974
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethene
SMILESC=C.CSc1nc2c(C)c(C)nn2c(N)c1C#N
InChIInChI=1S/C10H11N5S.C2H4/c1-5-6(2)14-15-8(12)7(4-11)10(16-3)13-9(5)15;1-2/h12H2,1-3H3;1-2H2
InChIKeyYIGPAWKGFJAHMU-UHFFFAOYSA-N
XLogP2.32
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethene?
The IUPAC name of 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethene (CID 164570974) is 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethene.
What is the SMILES notation for 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethene?
The canonical SMILES for 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethene is C=C.CSc1nc2c(C)c(C)nn2c(N)c1C#N.
What is the InChIKey of 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethene?
The InChIKey is YIGPAWKGFJAHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S.C2H4/c1-5-6(2)14-15-8(12)7(4-11)10(16-3)13-9(5)15;1-2/h12H2,1-3H3;1-2H2.
What are the key properties of 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethene?
7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethene has a molecular weight of 261.35 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2,3-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;ethene is sourced from PubChem (CID 164570974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).