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

C6H5BrN4 — CID 13011565

IUPAC8-bromo-4-methylpyrazolo[5,1-c][1,2,4]triazine
SMILESCc1cnnc2c(Br)cnn12
InChIInChI=1S/C6H5BrN4/c1-4-2-8-10-6-5(7)3-9-11(4)6/h2-3H,1H3
InChIKeyZVCPMOKCTUXKRX-UHFFFAOYSA-N
MW213.04 g/mol
LogP1.20
Rot. Bonds

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

8-bromo-4-methylpyrazolo[5,1-c][1,2,4]triazine (PubChem CID 13011565) has the molecular formula C6H5BrN4 and a molecular weight of 213.04 g/mol. Its IUPAC name is 8-bromo-4-methylpyrazolo[5,1-c][1,2,4]triazine.

Molecular Properties

Compound Name8-bromo-4-methylpyrazolo[5,1-c][1,2,4]triazine
PubChem CID13011565
Molecular FormulaC6H5BrN4
Molecular Weight213.04 g/mol
Exact Mass211.97
IUPAC Name8-bromo-4-methylpyrazolo[5,1-c][1,2,4]triazine
SMILESCc1cnnc2c(Br)cnn12
InChIInChI=1S/C6H5BrN4/c1-4-2-8-10-6-5(7)3-9-11(4)6/h2-3H,1H3
InChIKeyZVCPMOKCTUXKRX-UHFFFAOYSA-N
XLogP1.20
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.04
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-methylpyrazolo[5,1-c][1,2,4]triazine?
The IUPAC name of 8-bromo-4-methylpyrazolo[5,1-c][1,2,4]triazine (CID 13011565) is 8-bromo-4-methylpyrazolo[5,1-c][1,2,4]triazine.
What is the SMILES notation for 8-bromo-4-methylpyrazolo[5,1-c][1,2,4]triazine?
The canonical SMILES for 8-bromo-4-methylpyrazolo[5,1-c][1,2,4]triazine is Cc1cnnc2c(Br)cnn12.
What is the InChIKey of 8-bromo-4-methylpyrazolo[5,1-c][1,2,4]triazine?
The InChIKey is ZVCPMOKCTUXKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4/c1-4-2-8-10-6-5(7)3-9-11(4)6/h2-3H,1H3.
What are the key properties of 8-bromo-4-methylpyrazolo[5,1-c][1,2,4]triazine?
8-bromo-4-methylpyrazolo[5,1-c][1,2,4]triazine has a molecular weight of 213.04 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-methylpyrazolo[5,1-c][1,2,4]triazine is sourced from PubChem (CID 13011565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).