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

C19H22N4 — CID 126448157

IUPAC2-methyl-6-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc2ccc(-c3ccc([C@H](C)N4CCCC4)cc3)cn2n1
InChIInChI=1S/C19H22N4/c1-14(22-11-3-4-12-22)16-5-7-17(8-6-16)18-9-10-19-20-15(2)21-23(19)13-18/h5-10,13-14H,3-4,11-12H2,1-2H3/t14-/m0/s1
InChIKeyPKWVABPVEJYQMO-AWEZNQCLSA-N
MW306.41 g/mol
LogP3.86
Rot. Bonds3

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

2-methyl-6-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 126448157) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-methyl-6-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-methyl-6-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID126448157
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2-methyl-6-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc2ccc(-c3ccc([C@H](C)N4CCCC4)cc3)cn2n1
InChIInChI=1S/C19H22N4/c1-14(22-11-3-4-12-22)16-5-7-17(8-6-16)18-9-10-19-20-15(2)21-23(19)13-18/h5-10,13-14H,3-4,11-12H2,1-2H3/t14-/m0/s1
InChIKeyPKWVABPVEJYQMO-AWEZNQCLSA-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

Analyze 2-methyl-6-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

2-methyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 121495759
2-methyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 126425290
1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole
CID 125436875
2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 126451324
3-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]pyridine
CID 11602342
4-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]-1H-pyrimidin-6-one
CID 137167982
5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole
CID 122558610
1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine
CID 72914284
3,5-dimethyl-4-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-1,2-oxazole
CID 11702970
1-[1-[4-(4-thiophen-3-ylphenyl)phenyl]ethyl]pyrrolidine
CID 11515502
1-[1-(4-bromophenyl)ethyl]pyrrolidine
CID 12738008
5-cyclopropyl-1-methyl-3-[4-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole
CID 165417972

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-methyl-6-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 126448157) is 2-methyl-6-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-methyl-6-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-methyl-6-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1nc2ccc(-c3ccc([C@H](C)N4CCCC4)cc3)cn2n1.
What is the InChIKey of 2-methyl-6-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is PKWVABPVEJYQMO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4/c1-14(22-11-3-4-12-22)16-5-7-17(8-6-16)18-9-10-19-20-15(2)21-23(19)13-18/h5-10,13-14H,3-4,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-methyl-6-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
2-methyl-6-[4-[(1S)-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-[4-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 126448157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).