1-cyclopropyl-5-pyridin-2-yltriazole-4-carboxylic acid

C11H10N4O2 — CID 165493158

IUPAC1-cyclopropyl-5-pyridin-2-yltriazole-4-carboxylic acid
SMILESO=C(O)c1nnn(C2CC2)c1-c1ccccn1
InChIInChI=1S/C11H10N4O2/c16-11(17)9-10(8-3-1-2-6-12-8)15(14-13-9)7-4-5-7/h1-3,6-7H,4-5H2,(H,16,17)
InChIKeyPOFBNOCPUQRGNO-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.37
Rot. Bonds3

About 1-cyclopropyl-5-pyridin-2-yltriazole-4-carboxylic acid

1-cyclopropyl-5-pyridin-2-yltriazole-4-carboxylic acid (PubChem CID 165493158) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-cyclopropyl-5-pyridin-2-yltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-pyridin-2-yltriazole-4-carboxylic acid
PubChem CID165493158
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name1-cyclopropyl-5-pyridin-2-yltriazole-4-carboxylic acid
SMILESO=C(O)c1nnn(C2CC2)c1-c1ccccn1
InChIInChI=1S/C11H10N4O2/c16-11(17)9-10(8-3-1-2-6-12-8)15(14-13-9)7-4-5-7/h1-3,6-7H,4-5H2,(H,16,17)
InChIKeyPOFBNOCPUQRGNO-UHFFFAOYSA-N
XLogP1.37
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylic acid
CID 44454552
5-Pyridin-2-yl-1-(4-sulfamoylphenyl)triazole-4-carboxylic acid
CID 145983107
1H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-1-(4-pyridinyl)-
CID 3053680
[1,2,3]Triazolo[1,5-a]pyridine-3-carboxylic acid
CID 13111409
1-(4-ethylphenyl)-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid
CID 24277897
1-(2-Fluorophenyl)-5-pyridin-4-yl-1H-1,2,3-triazole-4-carboxylic acid
CID 50946833
1-(2-fluorophenyl)-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxylic acid
CID 53193002
1-(2-Fluorophenyl)-5-pyridin-3-yl-1H-1,2,3-triazole-4-carboxylic acid
CID 53193003
5-(pyridin-3-yl)-1-[3-(trifluoromethyl)benzyl]-1H-1,2,3-triazole-4-carboxylic acid
CID 53489606
1-methyl-3-(pyridin-2-yl)-1H-pyrazole-4-carboxylic acid
CID 39095960
1-(pyridin-2-ylmethyl)-1H-1,2,3-triazole-4-carboxylic acid
CID 54595587
1-phenyl-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid
CID 24277835

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-pyridin-2-yltriazole-4-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-pyridin-2-yltriazole-4-carboxylic acid (CID 165493158) is 1-cyclopropyl-5-pyridin-2-yltriazole-4-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-pyridin-2-yltriazole-4-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-pyridin-2-yltriazole-4-carboxylic acid is O=C(O)c1nnn(C2CC2)c1-c1ccccn1.
What is the InChIKey of 1-cyclopropyl-5-pyridin-2-yltriazole-4-carboxylic acid?
The InChIKey is POFBNOCPUQRGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c16-11(17)9-10(8-3-1-2-6-12-8)15(14-13-9)7-4-5-7/h1-3,6-7H,4-5H2,(H,16,17).
What are the key properties of 1-cyclopropyl-5-pyridin-2-yltriazole-4-carboxylic acid?
1-cyclopropyl-5-pyridin-2-yltriazole-4-carboxylic acid has a molecular weight of 230.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-pyridin-2-yltriazole-4-carboxylic acid is sourced from PubChem (CID 165493158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).