5,6-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine

C17H21N7 — CID 90017261

IUPAC5,6-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc2nc(/C=C/c3nc(N4CCCC4)nn3C)nn2c1C
InChIInChI=1S/C17H21N7/c1-12-6-8-16-18-14(20-24(16)13(12)2)7-9-15-19-17(21-22(15)3)23-10-4-5-11-23/h6-9H,4-5,10-11H2,1-3H3/b9-7+
InChIKeyCSNVJIVPMGUJOO-VQHVLOKHSA-N
MW323.40 g/mol
LogP2.25
Rot. Bonds3

About 5,6-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine

5,6-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 90017261) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5,6-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5,6-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID90017261
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name5,6-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc2nc(/C=C/c3nc(N4CCCC4)nn3C)nn2c1C
InChIInChI=1S/C17H21N7/c1-12-6-8-16-18-14(20-24(16)13(12)2)7-9-15-19-17(21-22(15)3)23-10-4-5-11-23/h6-9H,4-5,10-11H2,1-3H3/b9-7+
InChIKeyCSNVJIVPMGUJOO-VQHVLOKHSA-N
XLogP2.25
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

Savolitinib
CID 68289010
Adipiplon
CID 11198924
R121919
CID 9821250
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
(R)-Zinc-3573
CID 95882507
3,8-Dimethyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethynyl)-2-(trifluoro-methyl)imidazo[1,2-b]pyridazine
CID 75201366
6-Chloranyl-5,8-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)ethyl]-[1,2,4]triazolo[1,5-A]pyridine
CID 90033975
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
3-Methyl-6-((1-methyl-5-(pyrrolidin-1-yl)-1H-1,2,4-triazol-3-yl)ethynyl)-2-(trifluoro-methyl)imidazo[1,2-b]pyridazine
CID 75201287
2-(Difluoromethyl)-3-methyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)-ethynyl)imidazo[1,2-b]pyridazine
CID 75201303
US10399985, Example 20
CID 118278203
US10399985, Example 19
CID 118278204

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5,6-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 90017261) is 5,6-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5,6-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5,6-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc2nc(/C=C/c3nc(N4CCCC4)nn3C)nn2c1C.
What is the InChIKey of 5,6-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is CSNVJIVPMGUJOO-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H21N7/c1-12-6-8-16-18-14(20-24(16)13(12)2)7-9-15-19-17(21-22(15)3)23-10-4-5-11-23/h6-9H,4-5,10-11H2,1-3H3/b9-7+.
What are the key properties of 5,6-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine?
5,6-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 323.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 90017261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).