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

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Related Compounds

2-[(1-methyltriazol-4-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 107041002
2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 45423294
4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid
CID 60977524
2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62335652
2-[carboxy(methyl)amino]pyridine-3-carboxylic acid
CID 67307021
3-methyl-2-[(1-methyltriazol-4-yl)methoxy]benzoic acid
CID 107040940
1-[(1-methyltriazol-4-yl)methyl]indole-4-carboxylic acid
CID 107043944
2-(N-methylanilino)pyridine-3-carboxylic acid
CID 139145304
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide
CID 61442220
N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62755607
2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]ethanol
CID 115778052
1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone
CID 103721785

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).