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

C12H15N5O2 — CID 63330922

IUPAC6-methyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NCCc2nncn2C)n1
InChIInChI=1S/C12H15N5O2/c1-8-3-4-9(12(18)19)11(15-8)13-6-5-10-16-14-7-17(10)2/h3-4,7H,5-6H2,1-2H3,(H,13,15)(H,18,19)
InChIKeyQNTCNFZOYONFPL-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.87
Rot. Bonds5

About 6-methyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylic acid

6-methyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 63330922) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 6-methyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylic acid
PubChem CID63330922
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name6-methyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NCCc2nncn2C)n1
InChIInChI=1S/C12H15N5O2/c1-8-3-4-9(12(18)19)11(15-8)13-6-5-10-16-14-7-17(10)2/h3-4,7H,5-6H2,1-2H3,(H,13,15)(H,18,19)
InChIKeyQNTCNFZOYONFPL-UHFFFAOYSA-N
XLogP0.87
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylic acid (CID 63330922) is 6-methyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(NCCc2nncn2C)n1.
What is the InChIKey of 6-methyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is QNTCNFZOYONFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-3-4-9(12(18)19)11(15-8)13-6-5-10-16-14-7-17(10)2/h3-4,7H,5-6H2,1-2H3,(H,13,15)(H,18,19).
What are the key properties of 6-methyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylic acid?
6-methyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 261.29 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63330922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).