5-(3-methyltriazol-4-yl)pyridine-3-carboxylic acid

C9H8N4O2 — CID 114689446

IUPAC5-(3-methyltriazol-4-yl)pyridine-3-carboxylic acid
SMILESCn1nncc1-c1cncc(C(=O)O)c1
InChIInChI=1S/C9H8N4O2/c1-13-8(5-11-12-13)6-2-7(9(14)15)4-10-3-6/h2-5H,1H3,(H,14,15)
InChIKeyBPVNETVORNMDFT-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.58
Rot. Bonds2

About 5-(3-methyltriazol-4-yl)pyridine-3-carboxylic acid

5-(3-methyltriazol-4-yl)pyridine-3-carboxylic acid (PubChem CID 114689446) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 5-(3-methyltriazol-4-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-methyltriazol-4-yl)pyridine-3-carboxylic acid
PubChem CID114689446
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name5-(3-methyltriazol-4-yl)pyridine-3-carboxylic acid
SMILESCn1nncc1-c1cncc(C(=O)O)c1
InChIInChI=1S/C9H8N4O2/c1-13-8(5-11-12-13)6-2-7(9(14)15)4-10-3-6/h2-5H,1H3,(H,14,15)
InChIKeyBPVNETVORNMDFT-UHFFFAOYSA-N
XLogP0.58
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyltriazol-4-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(3-methyltriazol-4-yl)pyridine-3-carboxylic acid (CID 114689446) is 5-(3-methyltriazol-4-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3-methyltriazol-4-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(3-methyltriazol-4-yl)pyridine-3-carboxylic acid is Cn1nncc1-c1cncc(C(=O)O)c1.
What is the InChIKey of 5-(3-methyltriazol-4-yl)pyridine-3-carboxylic acid?
The InChIKey is BPVNETVORNMDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c1-13-8(5-11-12-13)6-2-7(9(14)15)4-10-3-6/h2-5H,1H3,(H,14,15).
What are the key properties of 5-(3-methyltriazol-4-yl)pyridine-3-carboxylic acid?
5-(3-methyltriazol-4-yl)pyridine-3-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.58, 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)pyridine-3-carboxylic acid is sourced from PubChem (CID 114689446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).