N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide

C17H23N5O — CID 42692562

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1nc(C)n(-c2ccccc2)n1
InChIInChI=1S/C17H23N5O/c1-3-21-11-7-10-15(21)12-18-17(23)16-19-13(2)22(20-16)14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-12H2,1-2H3,(H,18,23)
InChIKeyILAMBWFPYQIIMZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.79
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 42692562) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID42692562
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCCN1CCCC1CNC(=O)c1nc(C)n(-c2ccccc2)n1
InChIInChI=1S/C17H23N5O/c1-3-21-11-7-10-15(21)12-18-17(23)16-19-13(2)22(20-16)14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-12H2,1-2H3,(H,18,23)
InChIKeyILAMBWFPYQIIMZ-UHFFFAOYSA-N
XLogP1.79
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide (CID 42692562) is N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide is CCN1CCCC1CNC(=O)c1nc(C)n(-c2ccccc2)n1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is ILAMBWFPYQIIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-3-21-11-7-10-15(21)12-18-17(23)16-19-13(2)22(20-16)14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-12H2,1-2H3,(H,18,23).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methyl-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).