3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-N-propylpyrrolidine-1-carboxamide

C17H23N5O — CID 91914635

IUPAC3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(Cc2nc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C17H23N5O/c1-2-9-18-17(23)22-10-8-13(12-22)11-15-19-16(21-20-15)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyHDLBPTSLOOOCCD-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.46
Rot. Bonds5

About 3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-N-propylpyrrolidine-1-carboxamide

3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-N-propylpyrrolidine-1-carboxamide (PubChem CID 91914635) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-N-propylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-N-propylpyrrolidine-1-carboxamide
PubChem CID91914635
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-N-propylpyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(Cc2nc(-c3ccccc3)n[nH]2)C1
InChIInChI=1S/C17H23N5O/c1-2-9-18-17(23)22-10-8-13(12-22)11-15-19-16(21-20-15)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyHDLBPTSLOOOCCD-UHFFFAOYSA-N
XLogP2.46
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-N-propylpyrrolidine-1-carboxamide?
The IUPAC name of 3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-N-propylpyrrolidine-1-carboxamide (CID 91914635) is 3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-N-propylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-N-propylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-N-propylpyrrolidine-1-carboxamide is CCCNC(=O)N1CCC(Cc2nc(-c3ccccc3)n[nH]2)C1.
What is the InChIKey of 3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-N-propylpyrrolidine-1-carboxamide?
The InChIKey is HDLBPTSLOOOCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-2-9-18-17(23)22-10-8-13(12-22)11-15-19-16(21-20-15)14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,18,23)(H,19,20,21).
What are the key properties of 3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-N-propylpyrrolidine-1-carboxamide?
3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-N-propylpyrrolidine-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-N-propylpyrrolidine-1-carboxamide is sourced from PubChem (CID 91914635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).