4-phenyl-3-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-triazole

C15H20N4 — CID 106984605

IUPAC4-phenyl-3-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-triazole
SMILESCC(C)C1(c2nncn2-c2ccccc2)CCNC1
InChIInChI=1S/C15H20N4/c1-12(2)15(8-9-16-10-15)14-18-17-11-19(14)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3
InChIKeyMBIFAUORRKIEHK-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.15
Rot. Bonds3

About 4-phenyl-3-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-triazole

4-phenyl-3-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-triazole (PubChem CID 106984605) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-phenyl-3-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-phenyl-3-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-triazole
PubChem CID106984605
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-phenyl-3-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-triazole
SMILESCC(C)C1(c2nncn2-c2ccccc2)CCNC1
InChIInChI=1S/C15H20N4/c1-12(2)15(8-9-16-10-15)14-18-17-11-19(14)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3
InChIKeyMBIFAUORRKIEHK-UHFFFAOYSA-N
XLogP2.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-triazole?
The IUPAC name of 4-phenyl-3-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-triazole (CID 106984605) is 4-phenyl-3-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-triazole.
What is the SMILES notation for 4-phenyl-3-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-triazole?
The canonical SMILES for 4-phenyl-3-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-triazole is CC(C)C1(c2nncn2-c2ccccc2)CCNC1.
What is the InChIKey of 4-phenyl-3-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-triazole?
The InChIKey is MBIFAUORRKIEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-12(2)15(8-9-16-10-15)14-18-17-11-19(14)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10H2,1-2H3.
What are the key properties of 4-phenyl-3-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-triazole?
4-phenyl-3-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-triazole has a molecular weight of 256.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-triazole is sourced from PubChem (CID 106984605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).