2-methyl-6-[(2S)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine

C19H21N5 — CID 124874423

IUPAC2-methyl-6-[(2S)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine
SMILESCc1cccc([C@@H]2CCCN2Cc2ncnn2-c2ccccc2)n1
InChIInChI=1S/C19H21N5/c1-15-7-5-10-17(22-15)18-11-6-12-23(18)13-19-20-14-21-24(19)16-8-3-2-4-9-16/h2-5,7-10,14,18H,6,11-13H2,1H3/t18-/m0/s1
InChIKeyLRDZJQDJBFQELW-SFHVURJKSA-N
MW319.41 g/mol
LogP3.31
Rot. Bonds4

About 2-methyl-6-[(2S)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine

2-methyl-6-[(2S)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine (PubChem CID 124874423) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-methyl-6-[(2S)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[(2S)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine
PubChem CID124874423
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name2-methyl-6-[(2S)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine
SMILESCc1cccc([C@@H]2CCCN2Cc2ncnn2-c2ccccc2)n1
InChIInChI=1S/C19H21N5/c1-15-7-5-10-17(22-15)18-11-6-12-23(18)13-19-20-14-21-24(19)16-8-3-2-4-9-16/h2-5,7-10,14,18H,6,11-13H2,1H3/t18-/m0/s1
InChIKeyLRDZJQDJBFQELW-SFHVURJKSA-N
XLogP3.31
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-6-[(2S)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine with MolForge

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Related Compounds

5-[[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]-1-phenyl-1,2,4-triazole
CID 124721321
2-[1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine
CID 75439356
N-[6-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-6-methylpyridin-2-amine
CID 110265165
N,N-dimethyl-2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]acetamide
CID 95817458
N,N,4-trimethyl-5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 97159631
5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole
CID 97159617
6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 97159618
4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
CID 133492915
methyl (2R)-2-fluoro-3-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propanoate
CID 124863514
4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904
6-[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-2-amine
CID 110265127

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2S)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-methyl-6-[(2S)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine (CID 124874423) is 2-methyl-6-[(2S)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-methyl-6-[(2S)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-methyl-6-[(2S)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine is Cc1cccc([C@@H]2CCCN2Cc2ncnn2-c2ccccc2)n1.
What is the InChIKey of 2-methyl-6-[(2S)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine?
The InChIKey is LRDZJQDJBFQELW-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N5/c1-15-7-5-10-17(22-15)18-11-6-12-23(18)13-19-20-14-21-24(19)16-8-3-2-4-9-16/h2-5,7-10,14,18H,6,11-13H2,1H3/t18-/m0/s1.
What are the key properties of 2-methyl-6-[(2S)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine?
2-methyl-6-[(2S)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine has a molecular weight of 319.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2S)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 124874423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).