5-[[2-(1-benzylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1-methyltriazole

C19H27N5 — CID 75470852

IUPAC5-[[2-(1-benzylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1-methyltriazole
SMILESCn1nncc1CN1CCCC1C1CCCN1Cc1ccccc1
InChIInChI=1S/C19H27N5/c1-22-17(13-20-21-22)15-24-12-6-10-19(24)18-9-5-11-23(18)14-16-7-3-2-4-8-16/h2-4,7-8,13,18-19H,5-6,9-12,14-15H2,1H3
InChIKeyIFEZMZXGVHDDHP-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.44
Rot. Bonds5

About 5-[[2-(1-benzylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1-methyltriazole

5-[[2-(1-benzylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1-methyltriazole (PubChem CID 75470852) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-[[2-(1-benzylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1-methyltriazole.

Molecular Properties

Compound Name5-[[2-(1-benzylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1-methyltriazole
PubChem CID75470852
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name5-[[2-(1-benzylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1-methyltriazole
SMILESCn1nncc1CN1CCCC1C1CCCN1Cc1ccccc1
InChIInChI=1S/C19H27N5/c1-22-17(13-20-21-22)15-24-12-6-10-19(24)18-9-5-11-23(18)14-16-7-3-2-4-8-16/h2-4,7-8,13,18-19H,5-6,9-12,14-15H2,1H3
InChIKeyIFEZMZXGVHDDHP-UHFFFAOYSA-N
XLogP2.44
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1-benzylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1-methyltriazole?
The IUPAC name of 5-[[2-(1-benzylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1-methyltriazole (CID 75470852) is 5-[[2-(1-benzylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1-methyltriazole.
What is the SMILES notation for 5-[[2-(1-benzylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1-methyltriazole?
The canonical SMILES for 5-[[2-(1-benzylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1-methyltriazole is Cn1nncc1CN1CCCC1C1CCCN1Cc1ccccc1.
What is the InChIKey of 5-[[2-(1-benzylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1-methyltriazole?
The InChIKey is IFEZMZXGVHDDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-22-17(13-20-21-22)15-24-12-6-10-19(24)18-9-5-11-23(18)14-16-7-3-2-4-8-16/h2-4,7-8,13,18-19H,5-6,9-12,14-15H2,1H3.
What are the key properties of 5-[[2-(1-benzylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1-methyltriazole?
5-[[2-(1-benzylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1-methyltriazole has a molecular weight of 325.46 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1-benzylpyrrolidin-2-yl)pyrrolidin-1-yl]methyl]-1-methyltriazole is sourced from PubChem (CID 75470852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).