N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-phenyltriazole-4-carboxamide

C20H23N5O — CID 136579455

IUPACN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-phenyltriazole-4-carboxamide
SMILESCCN(C)Cc1cccc(CNC(=O)c2cn(-c3ccccc3)nn2)c1
InChIInChI=1S/C20H23N5O/c1-3-24(2)14-17-9-7-8-16(12-17)13-21-20(26)19-15-25(23-22-19)18-10-5-4-6-11-18/h4-12,15H,3,13-14H2,1-2H3,(H,21,26)
InChIKeySWGMBQQQKHKQBE-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.65
Rot. Bonds7

About N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-phenyltriazole-4-carboxamide

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-phenyltriazole-4-carboxamide (PubChem CID 136579455) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-phenyltriazole-4-carboxamide
PubChem CID136579455
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-phenyltriazole-4-carboxamide
SMILESCCN(C)Cc1cccc(CNC(=O)c2cn(-c3ccccc3)nn2)c1
InChIInChI=1S/C20H23N5O/c1-3-24(2)14-17-9-7-8-16(12-17)13-21-20(26)19-15-25(23-22-19)18-10-5-4-6-11-18/h4-12,15H,3,13-14H2,1-2H3,(H,21,26)
InChIKeySWGMBQQQKHKQBE-UHFFFAOYSA-N
XLogP2.65
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylphenyl)-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 53332768
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-phenyltriazole-4-carboxamide
CID 46422654
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]isoquinoline-1-carboxamide
CID 52822157
1-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]triazole-4-carboxamide
CID 53332726
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide
CID 47827735
1-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide
CID 53365318
N,N-diethyl-1-phenyltriazole-4-carboxamide
CID 15048681
1-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 53332740
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-phenyltriazole-4-carboxamide
CID 46407569
methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate
CID 43066587
6-ethoxy-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 86849292

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-phenyltriazole-4-carboxamide (CID 136579455) is N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-phenyltriazole-4-carboxamide is CCN(C)Cc1cccc(CNC(=O)c2cn(-c3ccccc3)nn2)c1.
What is the InChIKey of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-phenyltriazole-4-carboxamide?
The InChIKey is SWGMBQQQKHKQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-24(2)14-17-9-7-8-16(12-17)13-21-20(26)19-15-25(23-22-19)18-10-5-4-6-11-18/h4-12,15H,3,13-14H2,1-2H3,(H,21,26).
What are the key properties of N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-phenyltriazole-4-carboxamide?
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-phenyltriazole-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 136579455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).