4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylic acid

C11H13N5O2 — CID 55219505

IUPAC4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylic acid
SMILESCn1cnnc1CCNc1ccnc(C(=O)O)c1
InChIInChI=1S/C11H13N5O2/c1-16-7-14-15-10(16)3-5-12-8-2-4-13-9(6-8)11(17)18/h2,4,6-7H,3,5H2,1H3,(H,12,13)(H,17,18)
InChIKeySLYNFPQLTANBAP-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.56
Rot. Bonds5

About 4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylic acid

4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylic acid (PubChem CID 55219505) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylic acid
PubChem CID55219505
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylic acid
SMILESCn1cnnc1CCNc1ccnc(C(=O)O)c1
InChIInChI=1S/C11H13N5O2/c1-16-7-14-15-10(16)3-5-12-8-2-4-13-9(6-8)11(17)18/h2,4,6-7H,3,5H2,1H3,(H,12,13)(H,17,18)
InChIKeySLYNFPQLTANBAP-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-4-amine
CID 102824217
2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzoic acid
CID 81282456
4-(ethylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 62179357
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-2-carboxylic acid
CID 114537284
5-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 63331300
4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid
CID 167824866
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid
CID 79241762
6-methyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 63330922
2-[2-[(2-carbamoyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373373
4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 43143056
4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114132784
1,3-dimethyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrazole-4-carboxylic acid
CID 63756912

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylic acid (CID 55219505) is 4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylic acid is Cn1cnnc1CCNc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is SLYNFPQLTANBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-16-7-14-15-10(16)3-5-12-8-2-4-13-9(6-8)11(17)18/h2,4,6-7H,3,5H2,1H3,(H,12,13)(H,17,18).
What are the key properties of 4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylic acid?
4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylic acid has a molecular weight of 247.26 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 55219505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).