5-(3-methyltriazol-4-yl)furan-2-carboxylic acid

C8H7N3O3 — CID 114689460

IUPAC5-(3-methyltriazol-4-yl)furan-2-carboxylic acid
SMILESCn1nncc1-c1ccc(C(=O)O)o1
InChIInChI=1S/C8H7N3O3/c1-11-5(4-9-10-11)6-2-3-7(14-6)8(12)13/h2-4H,1H3,(H,12,13)
InChIKeyVNXPFIRPMOKFEK-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.77
Rot. Bonds2

About 5-(3-methyltriazol-4-yl)furan-2-carboxylic acid

5-(3-methyltriazol-4-yl)furan-2-carboxylic acid (PubChem CID 114689460) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 5-(3-methyltriazol-4-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methyltriazol-4-yl)furan-2-carboxylic acid
PubChem CID114689460
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name5-(3-methyltriazol-4-yl)furan-2-carboxylic acid
SMILESCn1nncc1-c1ccc(C(=O)O)o1
InChIInChI=1S/C8H7N3O3/c1-11-5(4-9-10-11)6-2-3-7(14-6)8(12)13/h2-4H,1H3,(H,12,13)
InChIKeyVNXPFIRPMOKFEK-UHFFFAOYSA-N
XLogP0.77
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-dimethylpyrazol-3-yl)furan-2-carboxylic acid
CID 97034386
5-(2,3,4,5,6-pentamethylphenyl)furan-2-carboxylic acid
CID 63424237
5-[(5-phenyltriazol-1-yl)methyl]furan-2-carboxylic acid
CID 82221917
carbon dioxide;furan-2,5-dicarboxylic acid
CID 174931528
furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-pyridazin-3-ylfuran-2-carboxylic acid
CID 118477530
5-(6-chloro-3-pyridinyl)furan-2-carboxylic acid
CID 53427121
5-[5-(2,6-dimethyl-4-pyridinyl)furan-2-yl]furan-2-carboxylic acid
CID 118346708
5-trimethylgermylfuran-2-carboxylic acid
CID 13199575
5-(6-amino-4-methyl-3-pyridinyl)furan-2-carboxylic acid
CID 18801340
2-(4-methylphenyl)-1-(3-methyltriazol-4-yl)ethanone
CID 114685716
5-(5-formylthiophen-3-yl)furan-2-carboxylic acid
CID 18801353

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyltriazol-4-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(3-methyltriazol-4-yl)furan-2-carboxylic acid (CID 114689460) is 5-(3-methyltriazol-4-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(3-methyltriazol-4-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(3-methyltriazol-4-yl)furan-2-carboxylic acid is Cn1nncc1-c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(3-methyltriazol-4-yl)furan-2-carboxylic acid?
The InChIKey is VNXPFIRPMOKFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-11-5(4-9-10-11)6-2-3-7(14-6)8(12)13/h2-4H,1H3,(H,12,13).
What are the key properties of 5-(3-methyltriazol-4-yl)furan-2-carboxylic acid?
5-(3-methyltriazol-4-yl)furan-2-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyltriazol-4-yl)furan-2-carboxylic acid is sourced from PubChem (CID 114689460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).