1-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]triazole

C15H18N4 — CID 121183638

IUPAC1-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]triazole
SMILESc1ccc2c(c1)CC(N1CCC(n3ccnn3)C1)C2
InChIInChI=1S/C15H18N4/c1-2-4-13-10-15(9-12(13)3-1)18-7-5-14(11-18)19-8-6-16-17-19/h1-4,6,8,14-15H,5,7,9-11H2
InChIKeyPXRRYHAFQUJBPE-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.69
Rot. Bonds2

About 1-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]triazole

1-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]triazole (PubChem CID 121183638) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]triazole.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]triazole
PubChem CID121183638
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name1-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]triazole
SMILESc1ccc2c(c1)CC(N1CCC(n3ccnn3)C1)C2
InChIInChI=1S/C15H18N4/c1-2-4-13-10-15(9-12(13)3-1)18-7-5-14(11-18)19-8-6-16-17-19/h1-4,6,8,14-15H,5,7,9-11H2
InChIKeyPXRRYHAFQUJBPE-UHFFFAOYSA-N
XLogP1.69
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]triazole?
The IUPAC name of 1-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]triazole (CID 121183638) is 1-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]triazole.
What is the SMILES notation for 1-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]triazole?
The canonical SMILES for 1-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]triazole is c1ccc2c(c1)CC(N1CCC(n3ccnn3)C1)C2.
What is the InChIKey of 1-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]triazole?
The InChIKey is PXRRYHAFQUJBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-4-13-10-15(9-12(13)3-1)18-7-5-14(11-18)19-8-6-16-17-19/h1-4,6,8,14-15H,5,7,9-11H2.
What are the key properties of 1-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]triazole?
1-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]triazole has a molecular weight of 254.34 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]triazole is sourced from PubChem (CID 121183638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).