4-[3-[(3S)-1-benzylpyrrolidin-3-yl]propyl]-5-ethyl-2H-triazole

C18H26N4 — CID 143813373

IUPAC4-[3-[(3S)-1-benzylpyrrolidin-3-yl]propyl]-5-ethyl-2H-triazole
SMILESCCc1n[nH]nc1CCC[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H26N4/c1-2-17-18(20-21-19-17)10-6-9-16-11-12-22(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3,(H,19,20,21)/t16-/m0/s1
InChIKeyYUYYURLSXNISFO-INIZCTEOSA-N
MW298.43 g/mol
LogP3.21
Rot. Bonds7

About 4-[3-[(3S)-1-benzylpyrrolidin-3-yl]propyl]-5-ethyl-2H-triazole

4-[3-[(3S)-1-benzylpyrrolidin-3-yl]propyl]-5-ethyl-2H-triazole (PubChem CID 143813373) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[3-[(3S)-1-benzylpyrrolidin-3-yl]propyl]-5-ethyl-2H-triazole.

Molecular Properties

Compound Name4-[3-[(3S)-1-benzylpyrrolidin-3-yl]propyl]-5-ethyl-2H-triazole
PubChem CID143813373
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name4-[3-[(3S)-1-benzylpyrrolidin-3-yl]propyl]-5-ethyl-2H-triazole
SMILESCCc1n[nH]nc1CCC[C@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H26N4/c1-2-17-18(20-21-19-17)10-6-9-16-11-12-22(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3,(H,19,20,21)/t16-/m0/s1
InChIKeyYUYYURLSXNISFO-INIZCTEOSA-N
XLogP3.21
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-propylpyrrolidine
CID 12648211
1-benzyl-3-ethylpyrrolidine
CID 12648208
5-(1-benzylpyrrolidin-3-yl)pentan-1-amine
CID 123137581
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
3-(1-benzylpyrrolidin-3-yl)propanenitrile
CID 83909920
(3R)-1-benzyl-3-(3-chloropropyl)piperidine
CID 97166703
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine
CID 71090508
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
3-(bromomethyl)-1-[(4-ethylphenyl)methyl]pyrrolidine
CID 80689924

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3S)-1-benzylpyrrolidin-3-yl]propyl]-5-ethyl-2H-triazole?
The IUPAC name of 4-[3-[(3S)-1-benzylpyrrolidin-3-yl]propyl]-5-ethyl-2H-triazole (CID 143813373) is 4-[3-[(3S)-1-benzylpyrrolidin-3-yl]propyl]-5-ethyl-2H-triazole.
What is the SMILES notation for 4-[3-[(3S)-1-benzylpyrrolidin-3-yl]propyl]-5-ethyl-2H-triazole?
The canonical SMILES for 4-[3-[(3S)-1-benzylpyrrolidin-3-yl]propyl]-5-ethyl-2H-triazole is CCc1n[nH]nc1CCC[C@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of 4-[3-[(3S)-1-benzylpyrrolidin-3-yl]propyl]-5-ethyl-2H-triazole?
The InChIKey is YUYYURLSXNISFO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N4/c1-2-17-18(20-21-19-17)10-6-9-16-11-12-22(14-16)13-15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3,(H,19,20,21)/t16-/m0/s1.
What are the key properties of 4-[3-[(3S)-1-benzylpyrrolidin-3-yl]propyl]-5-ethyl-2H-triazole?
4-[3-[(3S)-1-benzylpyrrolidin-3-yl]propyl]-5-ethyl-2H-triazole has a molecular weight of 298.43 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3S)-1-benzylpyrrolidin-3-yl]propyl]-5-ethyl-2H-triazole is sourced from PubChem (CID 143813373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).