6-[2-[6-(1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

C16H15N5O2 — CID 59399238

IUPAC6-[2-[6-(1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
SMILESCC(C)(c1cccc(C(=O)O)n1)c1cccc(-n2cncn2)n1
InChIInChI=1S/C16H15N5O2/c1-16(2,12-6-3-5-11(19-12)15(22)23)13-7-4-8-14(20-13)21-10-17-9-18-21/h3-10H,1-2H3,(H,22,23)
InChIKeyGFCKPMROBBASOM-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.08
Rot. Bonds4

About 6-[2-[6-(1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

6-[2-[6-(1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (PubChem CID 59399238) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 6-[2-[6-(1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[6-(1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
PubChem CID59399238
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name6-[2-[6-(1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
SMILESCC(C)(c1cccc(C(=O)O)n1)c1cccc(-n2cncn2)n1
InChIInChI=1S/C16H15N5O2/c1-16(2,12-6-3-5-11(19-12)15(22)23)13-7-4-8-14(20-13)21-10-17-9-18-21/h3-10H,1-2H3,(H,22,23)
InChIKeyGFCKPMROBBASOM-UHFFFAOYSA-N
XLogP2.08
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-[6-(1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 44571955
3-Tert-butyl-1-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazole-5-carboxylic acid
CID 162669354
1-Propanone, 2-hydroxy-1,2-di-2-pyridinyl-3-(1H-1,2,4-triazol-1-yl)-
CID 3007581
1-Pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 2999822
4-[4-(Diethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 57328408
4-[4-(Dimethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 57328412
1,4-Diphenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 57328488
2-Methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 19916195
1,3-dimethyl-1H-pyrazolo(3,4-b)pyridine-6-carboxylic acid
CID 61150426
6-(1H-1,2,4-triazol-1-yl)pyridine-2-carboxylic acid
CID 62253542
2-[5-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]benzoic acid
CID 19976377
1-ethyl-6-(pyridin-4-yl)-1H-pyrazolo(3,4-b)pyridine-4-carboxylic acid
CID 16792498

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[6-(1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (CID 59399238) is 6-[2-[6-(1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[6-(1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[6-(1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is CC(C)(c1cccc(C(=O)O)n1)c1cccc(-n2cncn2)n1.
What is the InChIKey of 6-[2-[6-(1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The InChIKey is GFCKPMROBBASOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-16(2,12-6-3-5-11(19-12)15(22)23)13-7-4-8-14(20-13)21-10-17-9-18-21/h3-10H,1-2H3,(H,22,23).
What are the key properties of 6-[2-[6-(1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
6-[2-[6-(1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-(1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 59399238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).