N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide

C15H20FN5O — CID 6483908

IUPACN-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide
SMILESCC(c1ccc(F)cc1)n1cc(C(=O)NCCN(C)C)nn1
InChIInChI=1S/C15H20FN5O/c1-11(12-4-6-13(16)7-5-12)21-10-14(18-19-21)15(22)17-8-9-20(2)3/h4-7,10-11H,8-9H2,1-3H3,(H,17,22)
InChIKeyPYGIFSAOEFRANF-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.32
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide

N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide (PubChem CID 6483908) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide
PubChem CID6483908
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC NameN-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide
SMILESCC(c1ccc(F)cc1)n1cc(C(=O)NCCN(C)C)nn1
InChIInChI=1S/C15H20FN5O/c1-11(12-4-6-13(16)7-5-12)21-10-14(18-19-21)15(22)17-8-9-20(2)3/h4-7,10-11H,8-9H2,1-3H3,(H,17,22)
InChIKeyPYGIFSAOEFRANF-UHFFFAOYSA-N
XLogP1.32
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 3231000
1-[(1S)-1-(4-fluorophenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7443036
1-[(1R)-1-(4-fluorophenyl)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7443025
N-(3-methoxypropyl)-1-[(1R)-1-(4-methylphenyl)ethyl]triazole-4-carboxamide
CID 7442853
N-[2-(azepan-1-ium-1-yl)ethyl]-1-[(1R)-1-phenylethyl]triazole-4-carboxamide
CID 7443313
1-[1-(3-fluorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide
CID 110218991
N-[2-(dimethylamino)ethyl]-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
CID 53332712
N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109115425
1-[(1S)-1-(4-fluorophenyl)propyl]-N-(3-imidazol-1-ylpropyl)triazole-4-carboxamide
CID 95802400
N-(3-morpholin-4-ium-4-ylpropyl)-1-[(1S)-1-phenylethyl]triazole-4-carboxamide
CID 7443262
1-[1-(2-fluorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide
CID 3231011
N-[2-(dimethylamino)ethyl]-6-fluoroquinoline-2-carboxamide
CID 110464430

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide (CID 6483908) is N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide is CC(c1ccc(F)cc1)n1cc(C(=O)NCCN(C)C)nn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide?
The InChIKey is PYGIFSAOEFRANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O/c1-11(12-4-6-13(16)7-5-12)21-10-14(18-19-21)15(22)17-8-9-20(2)3/h4-7,10-11H,8-9H2,1-3H3,(H,17,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 6483908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).