3-[5-(1-benzylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-yl]-5-phenylpyridine

C24H23N5 — CID 130454475

IUPAC3-[5-(1-benzylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-yl]-5-phenylpyridine
SMILESc1ccc(CN2CCC(c3nc(-c4cncc(-c5ccccc5)c4)n[nH]3)C2)cc1
InChIInChI=1S/C24H23N5/c1-3-7-18(8-4-1)16-29-12-11-20(17-29)23-26-24(28-27-23)22-13-21(14-25-15-22)19-9-5-2-6-10-19/h1-10,13-15,20H,11-12,16-17H2,(H,26,27,28)
InChIKeyPAQZZKZYUVTBIM-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.52
Rot. Bonds5

About 3-[5-(1-benzylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-yl]-5-phenylpyridine

3-[5-(1-benzylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-yl]-5-phenylpyridine (PubChem CID 130454475) has the molecular formula C24H23N5 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-[5-(1-benzylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-yl]-5-phenylpyridine.

Molecular Properties

Compound Name3-[5-(1-benzylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-yl]-5-phenylpyridine
PubChem CID130454475
Molecular FormulaC24H23N5
Molecular Weight381.48 g/mol
Exact Mass381.20
IUPAC Name3-[5-(1-benzylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-yl]-5-phenylpyridine
SMILESc1ccc(CN2CCC(c3nc(-c4cncc(-c5ccccc5)c4)n[nH]3)C2)cc1
InChIInChI=1S/C24H23N5/c1-3-7-18(8-4-1)16-29-12-11-20(17-29)23-26-24(28-27-23)22-13-21(14-25-15-22)19-9-5-2-6-10-19/h1-10,13-15,20H,11-12,16-17H2,(H,26,27,28)
InChIKeyPAQZZKZYUVTBIM-UHFFFAOYSA-N
XLogP4.52
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
CID 141321764
3-[5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 110244523
3-[5-[1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 53192073
1-benzylpyrrolidine-3-carboximidamide;5-(1-benzylpyrrolidin-3-yl)-3-(3-phenylphenyl)-1H-1,2,4-triazole;methyl 1-benzylpyrrolidine-3-carboxylate;3-[3-(3-phenylphenyl)-1H-1,2,4-triazol-5-yl]pyrrolidine-1-carbonitrile
CID 158568628
4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 16669618
1-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
CID 154785087
5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
CID 61338880
3-[5-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 53192083
2-phenyl-1-[(3S)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 95111045
2-phenyl-5-[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyrimidine
CID 67360221
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95849653
1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192172

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-benzylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-yl]-5-phenylpyridine?
The IUPAC name of 3-[5-(1-benzylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-yl]-5-phenylpyridine (CID 130454475) is 3-[5-(1-benzylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-yl]-5-phenylpyridine.
What is the SMILES notation for 3-[5-(1-benzylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-yl]-5-phenylpyridine?
The canonical SMILES for 3-[5-(1-benzylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-yl]-5-phenylpyridine is c1ccc(CN2CCC(c3nc(-c4cncc(-c5ccccc5)c4)n[nH]3)C2)cc1.
What is the InChIKey of 3-[5-(1-benzylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-yl]-5-phenylpyridine?
The InChIKey is PAQZZKZYUVTBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5/c1-3-7-18(8-4-1)16-29-12-11-20(17-29)23-26-24(28-27-23)22-13-21(14-25-15-22)19-9-5-2-6-10-19/h1-10,13-15,20H,11-12,16-17H2,(H,26,27,28).
What are the key properties of 3-[5-(1-benzylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-yl]-5-phenylpyridine?
3-[5-(1-benzylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-yl]-5-phenylpyridine has a molecular weight of 381.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-benzylpyrrolidin-3-yl)-1H-1,2,4-triazol-3-yl]-5-phenylpyridine is sourced from PubChem (CID 130454475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).