2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]pyridine-3-carboxylic acid

C11H13N5O2 — CID 167844227

IUPAC2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]pyridine-3-carboxylic acid
SMILESCN(Cc1cn(C)nn1)c1ncccc1C(=O)O
InChIInChI=1S/C11H13N5O2/c1-15(6-8-7-16(2)14-13-8)10-9(11(17)18)4-3-5-12-10/h3-5,7H,6H2,1-2H3,(H,17,18)
InChIKeyYRYNJKFDAUEQCA-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.54
Rot. Bonds4

About 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]pyridine-3-carboxylic acid

2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]pyridine-3-carboxylic acid (PubChem CID 167844227) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]pyridine-3-carboxylic acid
PubChem CID167844227
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]pyridine-3-carboxylic acid
SMILESCN(Cc1cn(C)nn1)c1ncccc1C(=O)O
InChIInChI=1S/C11H13N5O2/c1-15(6-8-7-16(2)14-13-8)10-9(11(17)18)4-3-5-12-10/h3-5,7H,6H2,1-2H3,(H,17,18)
InChIKeyYRYNJKFDAUEQCA-UHFFFAOYSA-N
XLogP0.54
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]pyridine-3-carboxylic acid (CID 167844227) is 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]pyridine-3-carboxylic acid is CN(Cc1cn(C)nn1)c1ncccc1C(=O)O.
What is the InChIKey of 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]pyridine-3-carboxylic acid?
The InChIKey is YRYNJKFDAUEQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-15(6-8-7-16(2)14-13-8)10-9(11(17)18)4-3-5-12-10/h3-5,7H,6H2,1-2H3,(H,17,18).
What are the key properties of 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]pyridine-3-carboxylic acid?
2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]pyridine-3-carboxylic acid has a molecular weight of 247.26 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 167844227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).