8-bromo-2-methylsulfanyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C9H12BrN5S — CID 3041575

IUPAC8-bromo-2-methylsulfanyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCNc1nc(SC)nc2c(Br)cnn12
InChIInChI=1S/C9H12BrN5S/c1-3-4-11-8-14-9(16-2)13-7-6(10)5-12-15(7)8/h5H,3-4H2,1-2H3,(H,11,13,14)
InChIKeyYIUUSKUDTFKTNU-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.43
Rot. Bonds4

About 8-bromo-2-methylsulfanyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine

8-bromo-2-methylsulfanyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 3041575) has the molecular formula C9H12BrN5S and a molecular weight of 302.20 g/mol. Its IUPAC name is 8-bromo-2-methylsulfanyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-bromo-2-methylsulfanyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID3041575
Molecular FormulaC9H12BrN5S
Molecular Weight302.20 g/mol
Exact Mass301.00
IUPAC Name8-bromo-2-methylsulfanyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCCCNc1nc(SC)nc2c(Br)cnn12
InChIInChI=1S/C9H12BrN5S/c1-3-4-11-8-14-9(16-2)13-7-6(10)5-12-15(7)8/h5H,3-4H2,1-2H3,(H,11,13,14)
InChIKeyYIUUSKUDTFKTNU-UHFFFAOYSA-N
XLogP2.43
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-methylsulfanyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-bromo-2-methylsulfanyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 3041575) is 8-bromo-2-methylsulfanyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-bromo-2-methylsulfanyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-bromo-2-methylsulfanyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CCCNc1nc(SC)nc2c(Br)cnn12.
What is the InChIKey of 8-bromo-2-methylsulfanyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is YIUUSKUDTFKTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN5S/c1-3-4-11-8-14-9(16-2)13-7-6(10)5-12-15(7)8/h5H,3-4H2,1-2H3,(H,11,13,14).
What are the key properties of 8-bromo-2-methylsulfanyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-bromo-2-methylsulfanyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 302.20 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-methylsulfanyl-N-propylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 3041575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).