2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine

C20H24N4 — CID 126451324

IUPAC2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc2c(C)cc(-c3cccc([C@@H](C)N4CCCC4)c3)cn2n1
InChIInChI=1S/C20H24N4/c1-14-11-19(13-24-20(14)21-16(3)22-24)18-8-6-7-17(12-18)15(2)23-9-4-5-10-23/h6-8,11-13,15H,4-5,9-10H2,1-3H3/t15-/m1/s1
InChIKeyRQZKVHYUZKJZOP-OAHLLOKOSA-N
MW320.44 g/mol
LogP4.17
Rot. Bonds3

About 2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine

2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 126451324) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID126451324
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc2c(C)cc(-c3cccc([C@@H](C)N4CCCC4)c3)cn2n1
InChIInChI=1S/C20H24N4/c1-14-11-19(13-24-20(14)21-16(3)22-24)18-8-6-7-17(12-18)15(2)23-9-4-5-10-23/h6-8,11-13,15H,4-5,9-10H2,1-3H3/t15-/m1/s1
InChIKeyRQZKVHYUZKJZOP-OAHLLOKOSA-N
XLogP4.17
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 126451324) is 2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1nc2c(C)cc(-c3cccc([C@@H](C)N4CCCC4)c3)cn2n1.
What is the InChIKey of 2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is RQZKVHYUZKJZOP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N4/c1-14-11-19(13-24-20(14)21-16(3)22-24)18-8-6-7-17(12-18)15(2)23-9-4-5-10-23/h6-8,11-13,15H,4-5,9-10H2,1-3H3/t15-/m1/s1.
What are the key properties of 2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 320.44 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 126451324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).