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

C17H23N5O — CID 93016515

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1ncn(-c2ccc(C)cc2)n1
InChIInChI=1S/C17H23N5O/c1-3-21-10-4-5-15(21)11-18-17(23)16-19-12-22(20-16)14-8-6-13(2)7-9-14/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,18,23)/t15-/m1/s1
InChIKeySSTFVRWEOZJLHC-OAHLLOKOSA-N
MW313.40 g/mol
LogP1.79
Rot. Bonds5

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

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 93016515) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID93016515
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1ncn(-c2ccc(C)cc2)n1
InChIInChI=1S/C17H23N5O/c1-3-21-10-4-5-15(21)11-18-17(23)16-19-12-22(20-16)14-8-6-13(2)7-9-14/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,18,23)/t15-/m1/s1
InChIKeySSTFVRWEOZJLHC-OAHLLOKOSA-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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Related Compounds

5-benzyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692846
1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215036
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693104
N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 42880858
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxamide
CID 11791829
3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 94018036
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 107358520
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62165372
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 66120254
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74246890
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide (CID 93016515) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide is CCN1CCC[C@@H]1CNC(=O)c1ncn(-c2ccc(C)cc2)n1.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is SSTFVRWEOZJLHC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5O/c1-3-21-10-4-5-15(21)11-18-17(23)16-19-12-22(20-16)14-8-6-13(2)7-9-14/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,18,23)/t15-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methylphenyl)-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-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 93016515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).