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

C19H22N4 — CID 121495759

IUPAC2-methyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc2ccc(-c3cccc(C(C)N4CCCC4)c3)cn2n1
InChIInChI=1S/C19H22N4/c1-14(22-10-3-4-11-22)16-6-5-7-17(12-16)18-8-9-19-20-15(2)21-23(19)13-18/h5-9,12-14H,3-4,10-11H2,1-2H3
InChIKeyPNKDIBUFHSZSRX-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.86
Rot. Bonds3

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

2-methyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 121495759) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-methyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-methyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID121495759
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2-methyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc2ccc(-c3cccc(C(C)N4CCCC4)c3)cn2n1
InChIInChI=1S/C19H22N4/c1-14(22-10-3-4-11-22)16-6-5-7-17(12-16)18-8-9-19-20-15(2)21-23(19)13-18/h5-9,12-14H,3-4,10-11H2,1-2H3
InChIKeyPNKDIBUFHSZSRX-UHFFFAOYSA-N
XLogP3.86
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 126425290
2-methyl-6-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 126448157
2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 126451324
6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126436936
5-methoxy-1-methyl-3-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole
CID 121497591
2-methyl-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-imidazole
CID 95124127
5-chloro-2-methyl-4-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrimidin-6-one
CID 136915021
[1-methyl-5-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazol-3-yl]methanol
CID 155497871
4,6-dimethoxy-2-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidine
CID 125442859
3-(1-pyrrolidin-1-ylethyl)phenol
CID 13017918
3-methyl-4-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine
CID 50959459
2-(methylamino)-5-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]benzoic acid
CID 95213267

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-methyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 121495759) is 2-methyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-methyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-methyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1nc2ccc(-c3cccc(C(C)N4CCCC4)c3)cn2n1.
What is the InChIKey of 2-methyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is PNKDIBUFHSZSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-14(22-10-3-4-11-22)16-6-5-7-17(12-16)18-8-9-19-20-15(2)21-23(19)13-18/h5-9,12-14H,3-4,10-11H2,1-2H3.
What are the key properties of 2-methyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
2-methyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 306.41 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 121495759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).