6-bromo-7-methyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine

C6H7BrN4 — CID 87139281

IUPAC6-bromo-7-methyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCC1=Cc2ncnn2CN1Br
InChIInChI=1S/C6H7BrN4/c1-5-2-6-8-3-9-11(6)4-10(5)7/h2-3H,4H2,1H3
InChIKeyWXDSWOXNYANWRX-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.22
Rot. Bonds

About 6-bromo-7-methyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine

6-bromo-7-methyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 87139281) has the molecular formula C6H7BrN4 and a molecular weight of 215.05 g/mol. Its IUPAC name is 6-bromo-7-methyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name6-bromo-7-methyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID87139281
Molecular FormulaC6H7BrN4
Molecular Weight215.05 g/mol
Exact Mass213.99
IUPAC Name6-bromo-7-methyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCC1=Cc2ncnn2CN1Br
InChIInChI=1S/C6H7BrN4/c1-5-2-6-8-3-9-11(6)4-10(5)7/h2-3H,4H2,1H3
InChIKeyWXDSWOXNYANWRX-UHFFFAOYSA-N
XLogP1.22
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 6-bromo-7-methyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine (CID 87139281) is 6-bromo-7-methyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 6-bromo-7-methyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 6-bromo-7-methyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine is CC1=Cc2ncnn2CN1Br.
What is the InChIKey of 6-bromo-7-methyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is WXDSWOXNYANWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN4/c1-5-2-6-8-3-9-11(6)4-10(5)7/h2-3H,4H2,1H3.
What are the key properties of 6-bromo-7-methyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine?
6-bromo-7-methyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 215.05 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 87139281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).