7-bromo-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine

C7H6BrN3S — CID 66823051

IUPAC7-bromo-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
SMILESCSc1ncnn2c(Br)ccc12
InChIInChI=1S/C7H6BrN3S/c1-12-7-5-2-3-6(8)11(5)10-4-9-7/h2-4H,1H3
InChIKeyFNVWNYDVMCWRQD-UHFFFAOYSA-N
MW244.12 g/mol
LogP2.21
Rot. Bonds1

About 7-bromo-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine

7-bromo-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 66823051) has the molecular formula C7H6BrN3S and a molecular weight of 244.12 g/mol. Its IUPAC name is 7-bromo-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name7-bromo-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID66823051
Molecular FormulaC7H6BrN3S
Molecular Weight244.12 g/mol
Exact Mass242.95
IUPAC Name7-bromo-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
SMILESCSc1ncnn2c(Br)ccc12
InChIInChI=1S/C7H6BrN3S/c1-12-7-5-2-3-6(8)11(5)10-4-9-7/h2-4H,1H3
InChIKeyFNVWNYDVMCWRQD-UHFFFAOYSA-N
XLogP2.21
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 7-bromo-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine (CID 66823051) is 7-bromo-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 7-bromo-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 7-bromo-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine is CSc1ncnn2c(Br)ccc12.
What is the InChIKey of 7-bromo-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is FNVWNYDVMCWRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3S/c1-12-7-5-2-3-6(8)11(5)10-4-9-7/h2-4H,1H3.
What are the key properties of 7-bromo-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
7-bromo-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 244.12 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 66823051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).