1-(2-aminoethyl)-N-[(5-chloro-2-ethoxyphenyl)methyl]-N-methyltriazole-4-carboxamide

C15H20ClN5O2 — CID 70755136

IUPAC1-(2-aminoethyl)-N-[(5-chloro-2-ethoxyphenyl)methyl]-N-methyltriazole-4-carboxamide
SMILESCCOc1ccc(Cl)cc1CN(C)C(=O)c1cn(CCN)nn1
InChIInChI=1S/C15H20ClN5O2/c1-3-23-14-5-4-12(16)8-11(14)9-20(2)15(22)13-10-21(7-6-17)19-18-13/h4-5,8,10H,3,6-7,9,17H2,1-2H3
InChIKeyJNPGKAURJLYGPG-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.56
Rot. Bonds7

About 1-(2-aminoethyl)-N-[(5-chloro-2-ethoxyphenyl)methyl]-N-methyltriazole-4-carboxamide

1-(2-aminoethyl)-N-[(5-chloro-2-ethoxyphenyl)methyl]-N-methyltriazole-4-carboxamide (PubChem CID 70755136) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[(5-chloro-2-ethoxyphenyl)methyl]-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[(5-chloro-2-ethoxyphenyl)methyl]-N-methyltriazole-4-carboxamide
PubChem CID70755136
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC Name1-(2-aminoethyl)-N-[(5-chloro-2-ethoxyphenyl)methyl]-N-methyltriazole-4-carboxamide
SMILESCCOc1ccc(Cl)cc1CN(C)C(=O)c1cn(CCN)nn1
InChIInChI=1S/C15H20ClN5O2/c1-3-23-14-5-4-12(16)8-11(14)9-20(2)15(22)13-10-21(7-6-17)19-18-13/h4-5,8,10H,3,6-7,9,17H2,1-2H3
InChIKeyJNPGKAURJLYGPG-UHFFFAOYSA-N
XLogP1.56
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-ethyl-N-methyltriazole-4-carboxamide
CID 138027536
1-[2-(4-chloro-2-methylphenoxy)ethyl]triazole-4-carboxylic acid
CID 29082352
1-[(5-chloro-2-methoxyphenyl)methyl]triazole-4-carboxylic acid
CID 62059281
[1-(2-aminoethyl)triazol-4-yl]-(4-chlorophenyl)methanone
CID 116583092
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide
CID 112798057
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
1-[(5-chloro-2-ethoxyphenyl)methyl]-1-methyl-3-[(1-propan-2-ylimidazol-2-yl)methyl]urea
CID 122564585
N-[(5-chloro-2-ethoxyphenyl)methyl]-2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylacetamide
CID 91829225
1-[(5-acetyl-2-ethoxyphenyl)methyl]triazole-4-carboxylic acid
CID 62060234
1-(2-aminoethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyltriazole-4-carboxamide
CID 79314420
methyl 6-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate
CID 32762970
2-(2-amino-2-oxoethoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylbenzamide
CID 32762843

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[(5-chloro-2-ethoxyphenyl)methyl]-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[(5-chloro-2-ethoxyphenyl)methyl]-N-methyltriazole-4-carboxamide (CID 70755136) is 1-(2-aminoethyl)-N-[(5-chloro-2-ethoxyphenyl)methyl]-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[(5-chloro-2-ethoxyphenyl)methyl]-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[(5-chloro-2-ethoxyphenyl)methyl]-N-methyltriazole-4-carboxamide is CCOc1ccc(Cl)cc1CN(C)C(=O)c1cn(CCN)nn1.
What is the InChIKey of 1-(2-aminoethyl)-N-[(5-chloro-2-ethoxyphenyl)methyl]-N-methyltriazole-4-carboxamide?
The InChIKey is JNPGKAURJLYGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O2/c1-3-23-14-5-4-12(16)8-11(14)9-20(2)15(22)13-10-21(7-6-17)19-18-13/h4-5,8,10H,3,6-7,9,17H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-N-[(5-chloro-2-ethoxyphenyl)methyl]-N-methyltriazole-4-carboxamide?
1-(2-aminoethyl)-N-[(5-chloro-2-ethoxyphenyl)methyl]-N-methyltriazole-4-carboxamide has a molecular weight of 337.81 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[(5-chloro-2-ethoxyphenyl)methyl]-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 70755136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).