7-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

C10H6N4O3 — CID 103200320

IUPAC7-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2nccc(-c3ccoc3)n2n1
InChIInChI=1S/C10H6N4O3/c15-9(16)8-12-10-11-3-1-7(14(10)13-8)6-2-4-17-5-6/h1-5H,(H,15,16)
InChIKeyPRAJNGVCUZFUPP-UHFFFAOYSA-N
MW230.18 g/mol
LogP1.08
Rot. Bonds2

About 7-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

7-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 103200320) has the molecular formula C10H6N4O3 and a molecular weight of 230.18 g/mol. Its IUPAC name is 7-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID103200320
Molecular FormulaC10H6N4O3
Molecular Weight230.18 g/mol
Exact Mass230.04
IUPAC Name7-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2nccc(-c3ccoc3)n2n1
InChIInChI=1S/C10H6N4O3/c15-9(16)8-12-10-11-3-1-7(14(10)13-8)6-2-4-17-5-6/h1-5H,(H,15,16)
InChIKeyPRAJNGVCUZFUPP-UHFFFAOYSA-N
XLogP1.08
TPSA93.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(3,4-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 103200368
5-(furan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 28875613
methyl 7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200385
methyl 7-(3-aminophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200375
2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 30465384
methyl 7-(3-bromo-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200418
2-(furan-3-yl)pyridine-4-carboxylic acid
CID 91623804
2-[7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
CID 103201002
4-oxo-4-[(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]butanoic acid
CID 707944
2-[7-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetic acid
CID 103201076
6-chloro-2-(furan-3-yl)pyrimidine-4-carboxylic acid
CID 165445136
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetic acid
CID 43354509

Frequently Asked Questions

What is the IUPAC name of 7-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 103200320) is 7-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1nc2nccc(-c3ccoc3)n2n1.
What is the InChIKey of 7-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is PRAJNGVCUZFUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O3/c15-9(16)8-12-10-11-3-1-7(14(10)13-8)6-2-4-17-5-6/h1-5H,(H,15,16).
What are the key properties of 7-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 230.18 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 103200320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).