2-(4,5-dipyridin-2-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid

C19H19N5O2 — CID 101483262

IUPAC2-(4,5-dipyridin-2-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1c1nnc(-c2ccccn2)n1-c1ccccn1
InChIInChI=1S/C19H19N5O2/c25-19(26)14-8-2-1-7-13(14)17-22-23-18(15-9-3-5-11-20-15)24(17)16-10-4-6-12-21-16/h3-6,9-14H,1-2,7-8H2,(H,25,26)
InChIKeyZVANUGDONCUNHE-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.08
Rot. Bonds4

About 2-(4,5-dipyridin-2-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid

2-(4,5-dipyridin-2-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid (PubChem CID 101483262) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-(4,5-dipyridin-2-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4,5-dipyridin-2-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
PubChem CID101483262
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-(4,5-dipyridin-2-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1c1nnc(-c2ccccn2)n1-c1ccccn1
InChIInChI=1S/C19H19N5O2/c25-19(26)14-8-2-1-7-13(14)17-22-23-18(15-9-3-5-11-20-15)24(17)16-10-4-6-12-21-16/h3-6,9-14H,1-2,7-8H2,(H,25,26)
InChIKeyZVANUGDONCUNHE-UHFFFAOYSA-N
XLogP3.08
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117152016
2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
CID 61376468
(2R,3R)-1-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116249
2-(3-methoxy-2-pyridinyl)cycloheptane-1-carboxylic acid
CID 114054225
3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 117247715
1-cyclopropyl-5-pyridin-2-yltriazole-4-carboxylic acid
CID 165493158
cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 756841
2-(2-methylpyrazol-3-yl)cycloheptane-1-carboxylic acid
CID 81020533
(3aS,7aS)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7974830
(2S)-2-amino-2-cyclohexyl-1-[(5S)-5-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 165424265
N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51642051
cyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
CID 71682493

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dipyridin-2-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(4,5-dipyridin-2-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid (CID 101483262) is 2-(4,5-dipyridin-2-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(4,5-dipyridin-2-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(4,5-dipyridin-2-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1c1nnc(-c2ccccn2)n1-c1ccccn1.
What is the InChIKey of 2-(4,5-dipyridin-2-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid?
The InChIKey is ZVANUGDONCUNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-19(26)14-8-2-1-7-13(14)17-22-23-18(15-9-3-5-11-20-15)24(17)16-10-4-6-12-21-16/h3-6,9-14H,1-2,7-8H2,(H,25,26).
What are the key properties of 2-(4,5-dipyridin-2-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid?
2-(4,5-dipyridin-2-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dipyridin-2-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 101483262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).