2-bromo-[1,2,4]triazolo[1,5-a]pyrimidine

C5H3BrN4 — CID 77230929

IUPAC2-bromo-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESBrc1nc2ncccn2n1
InChIInChI=1S/C5H3BrN4/c6-4-8-5-7-2-1-3-10(5)9-4/h1-3H
InChIKeyQPEFLTYNPXRWKV-UHFFFAOYSA-N
MW199.01 g/mol
LogP0.89
Rot. Bonds

About 2-bromo-[1,2,4]triazolo[1,5-a]pyrimidine

2-bromo-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 77230929) has the molecular formula C5H3BrN4 and a molecular weight of 199.01 g/mol. Its IUPAC name is 2-bromo-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-bromo-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID77230929
Molecular FormulaC5H3BrN4
Molecular Weight199.01 g/mol
Exact Mass197.95
IUPAC Name2-bromo-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESBrc1nc2ncccn2n1
InChIInChI=1S/C5H3BrN4/c6-4-8-5-7-2-1-3-10(5)9-4/h1-3H
InChIKeyQPEFLTYNPXRWKV-UHFFFAOYSA-N
XLogP0.89
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.01
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-bromo-[1,2,4]triazolo[1,5-a]pyrimidine (CID 77230929) is 2-bromo-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-bromo-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-bromo-[1,2,4]triazolo[1,5-a]pyrimidine is Brc1nc2ncccn2n1.
What is the InChIKey of 2-bromo-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QPEFLTYNPXRWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN4/c6-4-8-5-7-2-1-3-10(5)9-4/h1-3H.
What are the key properties of 2-bromo-[1,2,4]triazolo[1,5-a]pyrimidine?
2-bromo-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 199.01 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 77230929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).