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

C6H3BrN4O2 — CID 542159

IUPAC6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2ncc(Br)cn2n1
InChIInChI=1S/C6H3BrN4O2/c7-3-1-8-6-9-4(5(12)13)10-11(6)2-3/h1-2H,(H,12,13)
InChIKeyYSENOEHSZPNZDP-UHFFFAOYSA-N
MW243.02 g/mol
LogP0.58
Rot. Bonds1

About 6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 542159) has the molecular formula C6H3BrN4O2 and a molecular weight of 243.02 g/mol. Its IUPAC name is 6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID542159
Molecular FormulaC6H3BrN4O2
Molecular Weight243.02 g/mol
Exact Mass241.94
IUPAC Name6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2ncc(Br)cn2n1
InChIInChI=1S/C6H3BrN4O2/c7-3-1-8-6-9-4(5(12)13)10-11(6)2-3/h1-2H,(H,12,13)
InChIKeyYSENOEHSZPNZDP-UHFFFAOYSA-N
XLogP0.58
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.02
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1,2,4)Triazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 1263650
{6-Bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methanol
CID 57527274
Lithium(1+) 6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 166000729
6-(Trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid
CID 124178474
6-Bromo-8-hydro-1,2,4-triazolo[1,5-a]pyrimidine-2-carboxamide
CID 4419199
Methyl 6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 103626751
Ethyl 6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 129913693
Methyl 6-bromo-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate
CID 131622676
Ethyl 6-bromo-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate
CID 139222214
Methyl 6-chloro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 139222216
6-Bromo-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 103200350
1-(5-Fluoropyrimidin-2-yl)-1,2,4-triazole-3-carboxylic acid
CID 130572787

Frequently Asked Questions

What is the IUPAC name of 6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 542159) is 6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1nc2ncc(Br)cn2n1.
What is the InChIKey of 6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is YSENOEHSZPNZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN4O2/c7-3-1-8-6-9-4(5(12)13)10-11(6)2-3/h1-2H,(H,12,13).
What are the key properties of 6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 243.02 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 542159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).