2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid

C11H13N5O2 — CID 106303289

IUPAC2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
SMILESCCn1cnnc1CNc1cc(C(=O)O)ccn1
InChIInChI=1S/C11H13N5O2/c1-2-16-7-14-15-10(16)6-13-9-5-8(11(17)18)3-4-12-9/h3-5,7H,2,6H2,1H3,(H,12,13)(H,17,18)
InChIKeyQNTVCHIIZLQMJJ-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.00
Rot. Bonds5

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

2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid (PubChem CID 106303289) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
PubChem CID106303289
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
SMILESCCn1cnnc1CNc1cc(C(=O)O)ccn1
InChIInChI=1S/C11H13N5O2/c1-2-16-7-14-15-10(16)6-13-9-5-8(11(17)18)3-4-12-9/h3-5,7H,2,6H2,1H3,(H,12,13)(H,17,18)
InChIKeyQNTVCHIIZLQMJJ-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]benzoic acid
CID 106304038
3-bromo-4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]benzoic acid
CID 106304223
2-[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70780330
2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 114170880
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-N-methylpyridine-2,4-diamine
CID 106304442
3-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]-4-fluorobenzoic acid
CID 106303533
3-[(4-ethyl-1,2,4-triazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106303775
4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 114170871
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine
CID 79256368
2-amino-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114195553
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-amine
CID 106303313
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(methylamino)pyridine-4-sulfonamide
CID 106304083

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid (CID 106303289) is 2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid is CCn1cnnc1CNc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is QNTVCHIIZLQMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-2-16-7-14-15-10(16)6-13-9-5-8(11(17)18)3-4-12-9/h3-5,7H,2,6H2,1H3,(H,12,13)(H,17,18).
What are the key properties of 2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid?
2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 247.26 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 106303289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).