4-(1-methylpyrazol-4-yl)-9-methylsulfanyl-2H-pyrazino[1,2-a]pyrimidine-7-carbonitrile

C13H12N6S — CID 143460546

IUPAC4-(1-methylpyrazol-4-yl)-9-methylsulfanyl-2H-pyrazino[1,2-a]pyrimidine-7-carbonitrile
SMILESCSC1=NC(C#N)=CN2C(c3cnn(C)c3)=CCN=C12
InChIInChI=1S/C13H12N6S/c1-18-7-9(6-16-18)11-3-4-15-12-13(20-2)17-10(5-14)8-19(11)12/h3,6-8H,4H2,1-2H3
InChIKeyWTNAQWGIISRHNP-UHFFFAOYSA-N
MW284.35 g/mol
LogP1.62
Rot. Bonds1

About 4-(1-methylpyrazol-4-yl)-9-methylsulfanyl-2H-pyrazino[1,2-a]pyrimidine-7-carbonitrile

4-(1-methylpyrazol-4-yl)-9-methylsulfanyl-2H-pyrazino[1,2-a]pyrimidine-7-carbonitrile (PubChem CID 143460546) has the molecular formula C13H12N6S and a molecular weight of 284.35 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-9-methylsulfanyl-2H-pyrazino[1,2-a]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-9-methylsulfanyl-2H-pyrazino[1,2-a]pyrimidine-7-carbonitrile
PubChem CID143460546
Molecular FormulaC13H12N6S
Molecular Weight284.35 g/mol
Exact Mass284.08
IUPAC Name4-(1-methylpyrazol-4-yl)-9-methylsulfanyl-2H-pyrazino[1,2-a]pyrimidine-7-carbonitrile
SMILESCSC1=NC(C#N)=CN2C(c3cnn(C)c3)=CCN=C12
InChIInChI=1S/C13H12N6S/c1-18-7-9(6-16-18)11-3-4-15-12-13(20-2)17-10(5-14)8-19(11)12/h3,6-8H,4H2,1-2H3
InChIKeyWTNAQWGIISRHNP-UHFFFAOYSA-N
XLogP1.62
TPSA69.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-fluoro-2-(1-methylpyrazol-4-yl)-4H-pyrido[1,2-a]pyrimidine
CID 151820760
6-(1-methylpyrazol-4-yl)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106515834
2-methyl-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 106515860
2-ethyl-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 106515867
2-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 106515874
6-(1-methylpyrazol-4-yl)-2-propyl-1H-pyrimidine-4-thione
CID 106515881
6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 106515886
6-(1-ethylpyrazol-4-yl)-2-methyl-1H-pyrimidine-4-thione
CID 106515928
2-ethyl-6-(1-ethylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 106515935
6-(1-ethylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 106515951
2-methyl-6-(1-propylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 106515994
2-ethyl-6-(1-propylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 106516001

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-9-methylsulfanyl-2H-pyrazino[1,2-a]pyrimidine-7-carbonitrile?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-9-methylsulfanyl-2H-pyrazino[1,2-a]pyrimidine-7-carbonitrile (CID 143460546) is 4-(1-methylpyrazol-4-yl)-9-methylsulfanyl-2H-pyrazino[1,2-a]pyrimidine-7-carbonitrile.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-9-methylsulfanyl-2H-pyrazino[1,2-a]pyrimidine-7-carbonitrile?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-9-methylsulfanyl-2H-pyrazino[1,2-a]pyrimidine-7-carbonitrile is CSC1=NC(C#N)=CN2C(c3cnn(C)c3)=CCN=C12.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-9-methylsulfanyl-2H-pyrazino[1,2-a]pyrimidine-7-carbonitrile?
The InChIKey is WTNAQWGIISRHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6S/c1-18-7-9(6-16-18)11-3-4-15-12-13(20-2)17-10(5-14)8-19(11)12/h3,6-8H,4H2,1-2H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)-9-methylsulfanyl-2H-pyrazino[1,2-a]pyrimidine-7-carbonitrile?
4-(1-methylpyrazol-4-yl)-9-methylsulfanyl-2H-pyrazino[1,2-a]pyrimidine-7-carbonitrile has a molecular weight of 284.35 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-9-methylsulfanyl-2H-pyrazino[1,2-a]pyrimidine-7-carbonitrile is sourced from PubChem (CID 143460546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).