8-bromo-3,4-dimethylpyrazolo[5,1-c][1,2,4]triazine

C7H7BrN4 — CID 13011566

IUPAC8-bromo-3,4-dimethylpyrazolo[5,1-c][1,2,4]triazine
SMILESCc1nnc2c(Br)cnn2c1C
InChIInChI=1S/C7H7BrN4/c1-4-5(2)12-7(11-10-4)6(8)3-9-12/h3H,1-2H3
InChIKeyBWUOMPFAMBGUSY-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.50
Rot. Bonds

About 8-bromo-3,4-dimethylpyrazolo[5,1-c][1,2,4]triazine

8-bromo-3,4-dimethylpyrazolo[5,1-c][1,2,4]triazine (PubChem CID 13011566) has the molecular formula C7H7BrN4 and a molecular weight of 227.06 g/mol. Its IUPAC name is 8-bromo-3,4-dimethylpyrazolo[5,1-c][1,2,4]triazine.

Molecular Properties

Compound Name8-bromo-3,4-dimethylpyrazolo[5,1-c][1,2,4]triazine
PubChem CID13011566
Molecular FormulaC7H7BrN4
Molecular Weight227.06 g/mol
Exact Mass225.99
IUPAC Name8-bromo-3,4-dimethylpyrazolo[5,1-c][1,2,4]triazine
SMILESCc1nnc2c(Br)cnn2c1C
InChIInChI=1S/C7H7BrN4/c1-4-5(2)12-7(11-10-4)6(8)3-9-12/h3H,1-2H3
InChIKeyBWUOMPFAMBGUSY-UHFFFAOYSA-N
XLogP1.50
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3,4-dimethylpyrazolo[5,1-c][1,2,4]triazine?
The IUPAC name of 8-bromo-3,4-dimethylpyrazolo[5,1-c][1,2,4]triazine (CID 13011566) is 8-bromo-3,4-dimethylpyrazolo[5,1-c][1,2,4]triazine.
What is the SMILES notation for 8-bromo-3,4-dimethylpyrazolo[5,1-c][1,2,4]triazine?
The canonical SMILES for 8-bromo-3,4-dimethylpyrazolo[5,1-c][1,2,4]triazine is Cc1nnc2c(Br)cnn2c1C.
What is the InChIKey of 8-bromo-3,4-dimethylpyrazolo[5,1-c][1,2,4]triazine?
The InChIKey is BWUOMPFAMBGUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4/c1-4-5(2)12-7(11-10-4)6(8)3-9-12/h3H,1-2H3.
What are the key properties of 8-bromo-3,4-dimethylpyrazolo[5,1-c][1,2,4]triazine?
8-bromo-3,4-dimethylpyrazolo[5,1-c][1,2,4]triazine has a molecular weight of 227.06 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3,4-dimethylpyrazolo[5,1-c][1,2,4]triazine is sourced from PubChem (CID 13011566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).