6-(3-cyclohexyl-5-methyl-2H-indazol-6-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine

C21H23N5 — CID 163557249

IUPAC6-(3-cyclohexyl-5-methyl-2H-indazol-6-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc2c(C3CCCCC3)[nH]nc2cc1-c1cc(C)c2ncnn2c1
InChIInChI=1S/C21H23N5/c1-13-9-18-19(24-25-20(18)15-6-4-3-5-7-15)10-17(13)16-8-14(2)21-22-12-23-26(21)11-16/h8-12,15H,3-7H2,1-2H3,(H,24,25)
InChIKeyFODMEYCZVIVXFK-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.94
Rot. Bonds2

About 6-(3-cyclohexyl-5-methyl-2H-indazol-6-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine

6-(3-cyclohexyl-5-methyl-2H-indazol-6-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 163557249) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 6-(3-cyclohexyl-5-methyl-2H-indazol-6-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-(3-cyclohexyl-5-methyl-2H-indazol-6-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID163557249
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name6-(3-cyclohexyl-5-methyl-2H-indazol-6-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc2c(C3CCCCC3)[nH]nc2cc1-c1cc(C)c2ncnn2c1
InChIInChI=1S/C21H23N5/c1-13-9-18-19(24-25-20(18)15-6-4-3-5-7-15)10-17(13)16-8-14(2)21-22-12-23-26(21)11-16/h8-12,15H,3-7H2,1-2H3,(H,24,25)
InChIKeyFODMEYCZVIVXFK-UHFFFAOYSA-N
XLogP4.94
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclohexyl-5-methyl-2H-indazol-6-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-(3-cyclohexyl-5-methyl-2H-indazol-6-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 163557249) is 6-(3-cyclohexyl-5-methyl-2H-indazol-6-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-(3-cyclohexyl-5-methyl-2H-indazol-6-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-(3-cyclohexyl-5-methyl-2H-indazol-6-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc2c(C3CCCCC3)[nH]nc2cc1-c1cc(C)c2ncnn2c1.
What is the InChIKey of 6-(3-cyclohexyl-5-methyl-2H-indazol-6-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is FODMEYCZVIVXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-13-9-18-19(24-25-20(18)15-6-4-3-5-7-15)10-17(13)16-8-14(2)21-22-12-23-26(21)11-16/h8-12,15H,3-7H2,1-2H3,(H,24,25).
What are the key properties of 6-(3-cyclohexyl-5-methyl-2H-indazol-6-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
6-(3-cyclohexyl-5-methyl-2H-indazol-6-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 345.45 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclohexyl-5-methyl-2H-indazol-6-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 163557249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).