2-methyl-6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxylic acid

C11H13N5O2 — CID 113412914

IUPAC2-methyl-6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1nc(NCCn2ccnn2)ccc1C(=O)O
InChIInChI=1S/C11H13N5O2/c1-8-9(11(17)18)2-3-10(14-8)12-4-6-16-7-5-13-15-16/h2-3,5,7H,4,6H2,1H3,(H,12,14)(H,17,18)
InChIKeyXHGIJRRIGYNITD-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.79
Rot. Bonds5

About 2-methyl-6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxylic acid

2-methyl-6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 113412914) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-methyl-6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxylic acid
PubChem CID113412914
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-methyl-6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1nc(NCCn2ccnn2)ccc1C(=O)O
InChIInChI=1S/C11H13N5O2/c1-8-9(11(17)18)2-3-10(14-8)12-4-6-16-7-5-13-15-16/h2-3,5,7H,4,6H2,1H3,(H,12,14)(H,17,18)
InChIKeyXHGIJRRIGYNITD-UHFFFAOYSA-N
XLogP0.79
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[2-(triazol-1-yl)ethylamino]pyrimidine-2-carboxylate
CID 113412962
6-(5-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid
CID 107317986
6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid
CID 106339913
6-(4-hydroxypentylamino)-2-methylpyridine-3-carboxylic acid
CID 106136497
2-amino-4-[3-(triazol-1-yl)propylamino]benzoic acid
CID 104500898
3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91769346
2-chloro-4-[2-(triazol-1-yl)ethylsulfamoyl]benzoic acid
CID 107090248
5-methyl-2-[3-(triazol-1-yl)propanoylamino]benzoic acid
CID 28791181
6-(3-methylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine
CID 133449534
6-methoxy-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-2,4-diamine
CID 114053221
6-ethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine
CID 133449281
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine
CID 133449492

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxylic acid (CID 113412914) is 2-methyl-6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxylic acid is Cc1nc(NCCn2ccnn2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is XHGIJRRIGYNITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-8-9(11(17)18)2-3-10(14-8)12-4-6-16-7-5-13-15-16/h2-3,5,7H,4,6H2,1H3,(H,12,14)(H,17,18).
What are the key properties of 2-methyl-6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxylic acid?
2-methyl-6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 247.26 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 113412914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).