1-[2-[(2-methylpyridine-4-carbonyl)amino]ethyl]triazole-4-carboxylic acid

C12H13N5O3 — CID 106752673

IUPAC1-[2-[(2-methylpyridine-4-carbonyl)amino]ethyl]triazole-4-carboxylic acid
SMILESCc1cc(C(=O)NCCn2cc(C(=O)O)nn2)ccn1
InChIInChI=1S/C12H13N5O3/c1-8-6-9(2-3-13-8)11(18)14-4-5-17-7-10(12(19)20)15-16-17/h2-3,6-7H,4-5H2,1H3,(H,14,18)(H,19,20)
InChIKeyOYYJORVNKHZZKT-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.11
Rot. Bonds5

About 1-[2-[(2-methylpyridine-4-carbonyl)amino]ethyl]triazole-4-carboxylic acid

1-[2-[(2-methylpyridine-4-carbonyl)amino]ethyl]triazole-4-carboxylic acid (PubChem CID 106752673) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-[2-[(2-methylpyridine-4-carbonyl)amino]ethyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-methylpyridine-4-carbonyl)amino]ethyl]triazole-4-carboxylic acid
PubChem CID106752673
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name1-[2-[(2-methylpyridine-4-carbonyl)amino]ethyl]triazole-4-carboxylic acid
SMILESCc1cc(C(=O)NCCn2cc(C(=O)O)nn2)ccn1
InChIInChI=1S/C12H13N5O3/c1-8-6-9(2-3-13-8)11(18)14-4-5-17-7-10(12(19)20)15-16-17/h2-3,6-7H,4-5H2,1H3,(H,14,18)(H,19,20)
InChIKeyOYYJORVNKHZZKT-UHFFFAOYSA-N
XLogP0.11
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113385006
1-[2-[(2-fluoro-3-methylbenzoyl)amino]ethyl]triazole-4-carboxylic acid
CID 81480662
N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide
CID 106753602
1-[2-[(2,3-dihydroxybenzoyl)amino]ethyl]triazole-4-carboxylic acid
CID 114343389
4-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752465
3,5-dimethyl-N-[2-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]ethyl]benzamide
CID 42189042
6-[(2-methylpyridine-4-carbonyl)amino]hexanoic acid
CID 106752452
1-[2-[3-(propan-2-ylamino)propanoylamino]ethyl]triazole-4-carboxylic acid
CID 107500250
1-[2-[[2-(propan-2-ylamino)acetyl]amino]ethyl]triazole-4-carboxylic acid
CID 107500149
1-[2-[2-(2-methoxyethoxy)ethylamino]ethyl]triazole-4-carboxylic acid
CID 103243863
1-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]ethyl]triazole-4-carboxylic acid
CID 107500286
4-[[3-(methylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 112700659

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpyridine-4-carbonyl)amino]ethyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[2-[(2-methylpyridine-4-carbonyl)amino]ethyl]triazole-4-carboxylic acid (CID 106752673) is 1-[2-[(2-methylpyridine-4-carbonyl)amino]ethyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-methylpyridine-4-carbonyl)amino]ethyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[2-[(2-methylpyridine-4-carbonyl)amino]ethyl]triazole-4-carboxylic acid is Cc1cc(C(=O)NCCn2cc(C(=O)O)nn2)ccn1.
What is the InChIKey of 1-[2-[(2-methylpyridine-4-carbonyl)amino]ethyl]triazole-4-carboxylic acid?
The InChIKey is OYYJORVNKHZZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-8-6-9(2-3-13-8)11(18)14-4-5-17-7-10(12(19)20)15-16-17/h2-3,6-7H,4-5H2,1H3,(H,14,18)(H,19,20).
What are the key properties of 1-[2-[(2-methylpyridine-4-carbonyl)amino]ethyl]triazole-4-carboxylic acid?
1-[2-[(2-methylpyridine-4-carbonyl)amino]ethyl]triazole-4-carboxylic acid has a molecular weight of 275.27 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpyridine-4-carbonyl)amino]ethyl]triazole-4-carboxylic acid is sourced from PubChem (CID 106752673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).