4-[(2-ethylpyrrolidin-2-yl)methyl]-2-phenyltriazole

C15H20N4 — CID 104688201

IUPAC4-[(2-ethylpyrrolidin-2-yl)methyl]-2-phenyltriazole
SMILESCCC1(Cc2cnn(-c3ccccc3)n2)CCCN1
InChIInChI=1S/C15H20N4/c1-2-15(9-6-10-16-15)11-13-12-17-19(18-13)14-7-4-3-5-8-14/h3-5,7-8,12,16H,2,6,9-11H2,1H3
InChIKeyOSZYPVWRCMSOEC-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.34
Rot. Bonds4

About 4-[(2-ethylpyrrolidin-2-yl)methyl]-2-phenyltriazole

4-[(2-ethylpyrrolidin-2-yl)methyl]-2-phenyltriazole (PubChem CID 104688201) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[(2-ethylpyrrolidin-2-yl)methyl]-2-phenyltriazole.

Molecular Properties

Compound Name4-[(2-ethylpyrrolidin-2-yl)methyl]-2-phenyltriazole
PubChem CID104688201
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-[(2-ethylpyrrolidin-2-yl)methyl]-2-phenyltriazole
SMILESCCC1(Cc2cnn(-c3ccccc3)n2)CCCN1
InChIInChI=1S/C15H20N4/c1-2-15(9-6-10-16-15)11-13-12-17-19(18-13)14-7-4-3-5-8-14/h3-5,7-8,12,16H,2,6,9-11H2,1H3
InChIKeyOSZYPVWRCMSOEC-UHFFFAOYSA-N
XLogP2.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpyrrolidin-2-yl)methyl]-2-phenyltriazole?
The IUPAC name of 4-[(2-ethylpyrrolidin-2-yl)methyl]-2-phenyltriazole (CID 104688201) is 4-[(2-ethylpyrrolidin-2-yl)methyl]-2-phenyltriazole.
What is the SMILES notation for 4-[(2-ethylpyrrolidin-2-yl)methyl]-2-phenyltriazole?
The canonical SMILES for 4-[(2-ethylpyrrolidin-2-yl)methyl]-2-phenyltriazole is CCC1(Cc2cnn(-c3ccccc3)n2)CCCN1.
What is the InChIKey of 4-[(2-ethylpyrrolidin-2-yl)methyl]-2-phenyltriazole?
The InChIKey is OSZYPVWRCMSOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-2-15(9-6-10-16-15)11-13-12-17-19(18-13)14-7-4-3-5-8-14/h3-5,7-8,12,16H,2,6,9-11H2,1H3.
What are the key properties of 4-[(2-ethylpyrrolidin-2-yl)methyl]-2-phenyltriazole?
4-[(2-ethylpyrrolidin-2-yl)methyl]-2-phenyltriazole has a molecular weight of 256.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylpyrrolidin-2-yl)methyl]-2-phenyltriazole is sourced from PubChem (CID 104688201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).