1-(furan-2-ylmethyl)-5-pyridin-2-yltriazole-4-carboxylic acid

C13H10N4O3 — CID 102644188

IUPAC1-(furan-2-ylmethyl)-5-pyridin-2-yltriazole-4-carboxylic acid
SMILESO=C(O)c1nnn(Cc2ccco2)c1-c1ccccn1
InChIInChI=1S/C13H10N4O3/c18-13(19)11-12(10-5-1-2-6-14-10)17(16-15-11)8-9-4-3-7-20-9/h1-7H,8H2,(H,18,19)
InChIKeyVSHOBJAZVKMBNB-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.68
Rot. Bonds4

About 1-(furan-2-ylmethyl)-5-pyridin-2-yltriazole-4-carboxylic acid

1-(furan-2-ylmethyl)-5-pyridin-2-yltriazole-4-carboxylic acid (PubChem CID 102644188) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-pyridin-2-yltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-pyridin-2-yltriazole-4-carboxylic acid
PubChem CID102644188
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name1-(furan-2-ylmethyl)-5-pyridin-2-yltriazole-4-carboxylic acid
SMILESO=C(O)c1nnn(Cc2ccco2)c1-c1ccccn1
InChIInChI=1S/C13H10N4O3/c18-13(19)11-12(10-5-1-2-6-14-10)17(16-15-11)8-9-4-3-7-20-9/h1-7H,8H2,(H,18,19)
InChIKeyVSHOBJAZVKMBNB-UHFFFAOYSA-N
XLogP1.68
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-methyl-1,3-oxazol-4-yl)methyl]-5-pyridin-2-yltriazole-4-carboxylic acid
CID 102644240
1-[(4-bromophenyl)methyl]-5-pyridin-2-yltriazole-4-carboxylic acid
CID 56769009
5-pyridin-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxylic acid
CID 53366342
1-[(5-methyloxolan-2-yl)methyl]-5-pyridin-2-yltriazole-4-carboxylic acid
CID 103137783
1-(2-hydroxy-3-methoxypropyl)-5-pyridin-2-yltriazole-4-carboxylic acid
CID 102644192
1-cyclopropyl-5-pyridin-2-yltriazole-4-carboxylic acid
CID 165493158
1-[1-(furan-2-ylmethyl)-5-methyltriazol-4-yl]ethanone
CID 71470002
5-(furan-2-yl)-1-[(2-methylphenyl)methyl]triazole-4-carboxylic acid
CID 82202306
2-[1-(furan-2-ylmethyl)imidazol-2-yl]pyridine
CID 155919716
2-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 6956053
2-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]pyridine
CID 169417860
1-butyl-5-(furan-2-yl)triazole-4-carboxylic acid
CID 82202111

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-pyridin-2-yltriazole-4-carboxylic acid?
The IUPAC name of 1-(furan-2-ylmethyl)-5-pyridin-2-yltriazole-4-carboxylic acid (CID 102644188) is 1-(furan-2-ylmethyl)-5-pyridin-2-yltriazole-4-carboxylic acid.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-pyridin-2-yltriazole-4-carboxylic acid?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-pyridin-2-yltriazole-4-carboxylic acid is O=C(O)c1nnn(Cc2ccco2)c1-c1ccccn1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-pyridin-2-yltriazole-4-carboxylic acid?
The InChIKey is VSHOBJAZVKMBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c18-13(19)11-12(10-5-1-2-6-14-10)17(16-15-11)8-9-4-3-7-20-9/h1-7H,8H2,(H,18,19).
What are the key properties of 1-(furan-2-ylmethyl)-5-pyridin-2-yltriazole-4-carboxylic acid?
1-(furan-2-ylmethyl)-5-pyridin-2-yltriazole-4-carboxylic acid has a molecular weight of 270.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-5-pyridin-2-yltriazole-4-carboxylic acid is sourced from PubChem (CID 102644188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).