N-[(1-phenylpyrrolidin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide

C15H19N5O — CID 90619889

IUPACN-[(1-phenylpyrrolidin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCC1CCCN1c1ccccc1
InChIInChI=1S/C15H19N5O/c21-15(10-19-12-16-11-18-19)17-9-14-7-4-8-20(14)13-5-2-1-3-6-13/h1-3,5-6,11-12,14H,4,7-10H2,(H,17,21)
InChIKeyQKLIRAMIHBPULK-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.06
Rot. Bonds5

About N-[(1-phenylpyrrolidin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[(1-phenylpyrrolidin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 90619889) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(1-phenylpyrrolidin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-phenylpyrrolidin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID90619889
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[(1-phenylpyrrolidin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCC1CCCN1c1ccccc1
InChIInChI=1S/C15H19N5O/c21-15(10-19-12-16-11-18-19)17-9-14-7-4-8-20(14)13-5-2-1-3-6-13/h1-3,5-6,11-12,14H,4,7-10H2,(H,17,21)
InChIKeyQKLIRAMIHBPULK-UHFFFAOYSA-N
XLogP1.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrrolidin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(1-phenylpyrrolidin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 90619889) is N-[(1-phenylpyrrolidin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(1-phenylpyrrolidin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(1-phenylpyrrolidin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NCC1CCCN1c1ccccc1.
What is the InChIKey of N-[(1-phenylpyrrolidin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is QKLIRAMIHBPULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c21-15(10-19-12-16-11-18-19)17-9-14-7-4-8-20(14)13-5-2-1-3-6-13/h1-3,5-6,11-12,14H,4,7-10H2,(H,17,21).
What are the key properties of N-[(1-phenylpyrrolidin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[(1-phenylpyrrolidin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrrolidin-2-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 90619889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).