N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-1H-1,2,4-triazole-5-carboxamide

C16H19N5O2 — CID 654181

IUPACN-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ncn[nH]1
InChIInChI=1S/C16H19N5O2/c22-14(21-9-1-2-10-21)8-5-12-3-6-13(7-4-12)19-16(23)15-17-11-18-20-15/h3-4,6-7,11H,1-2,5,8-10H2,(H,19,23)(H,17,18,20)
InChIKeyFFPQZYCEGCURBL-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.61
Rot. Bonds5

About N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-1H-1,2,4-triazole-5-carboxamide

N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 654181) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID654181
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ncn[nH]1
InChIInChI=1S/C16H19N5O2/c22-14(21-9-1-2-10-21)8-5-12-3-6-13(7-4-12)19-16(23)15-17-11-18-20-15/h3-4,6-7,11H,1-2,5,8-10H2,(H,19,23)(H,17,18,20)
InChIKeyFFPQZYCEGCURBL-UHFFFAOYSA-N
XLogP1.61
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 654181) is N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ncn[nH]1.
What is the InChIKey of N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is FFPQZYCEGCURBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c22-14(21-9-1-2-10-21)8-5-12-3-6-13(7-4-12)19-16(23)15-17-11-18-20-15/h3-4,6-7,11H,1-2,5,8-10H2,(H,19,23)(H,17,18,20).
What are the key properties of N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 654181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).