5-chlorotriazolo[1,5-a]pyrimidine-3-carboxylic acid

C6H3ClN4O2 — CID 105451807

IUPAC5-chlorotriazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1nnn2ccc(Cl)nc12
InChIInChI=1S/C6H3ClN4O2/c7-3-1-2-11-5(8-3)4(6(12)13)9-10-11/h1-2H,(H,12,13)
InChIKeyIYNWGNYPCVPUAE-UHFFFAOYSA-N
MW198.57 g/mol
LogP0.48
Rot. Bonds1

About 5-chlorotriazolo[1,5-a]pyrimidine-3-carboxylic acid

5-chlorotriazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 105451807) has the molecular formula C6H3ClN4O2 and a molecular weight of 198.57 g/mol. Its IUPAC name is 5-chlorotriazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-chlorotriazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID105451807
Molecular FormulaC6H3ClN4O2
Molecular Weight198.57 g/mol
Exact Mass197.99
IUPAC Name5-chlorotriazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1nnn2ccc(Cl)nc12
InChIInChI=1S/C6H3ClN4O2/c7-3-1-2-11-5(8-3)4(6(12)13)9-10-11/h1-2H,(H,12,13)
InChIKeyIYNWGNYPCVPUAE-UHFFFAOYSA-N
XLogP0.48
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.57
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloroimidazo[2,1-c][1,2,4]triazine-7-carboxylic acid
CID 83880375
5-chloro-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 130882197
6-bromotriazolo[1,5-a]pyridine-3-carboxylic acid
CID 83824961
4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)but-3-enamide
CID 170798122
6-chloro-3-propylpyridine-2-carboxylic acid
CID 84721152
6-chloro-3-(triazol-2-yl)pyridine-2-carboxylic acid
CID 171772651
6-chloro-3-pyrrolidin-1-ylpyridine-2-carboxylic acid
CID 118695072
3-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride
CID 140866988
6-chloro-3-cyclopentylpyridine-2-carboxylic acid
CID 84725732
3,6-dichloropyridine-2-carboxylic acid;propan-2-amine
CID 174671655
3,6-dichloropyridine-2-carboxylic acid;pyridine
CID 137368232
6-chloro-3-propan-2-ylpyridine-2-carboxylic acid
CID 84721154

Frequently Asked Questions

What is the IUPAC name of 5-chlorotriazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-chlorotriazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 105451807) is 5-chlorotriazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-chlorotriazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-chlorotriazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1nnn2ccc(Cl)nc12.
What is the InChIKey of 5-chlorotriazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is IYNWGNYPCVPUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN4O2/c7-3-1-2-11-5(8-3)4(6(12)13)9-10-11/h1-2H,(H,12,13).
What are the key properties of 5-chlorotriazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-chlorotriazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 198.57 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorotriazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 105451807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).