5-amino-1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)triazole-4-carboxamide

C18H18ClN5O — CID 7386062

IUPAC5-amino-1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)triazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2nnn(Cc3cccc(Cl)c3)c2N)cc1
InChIInChI=1S/C18H18ClN5O/c1-2-12-6-8-15(9-7-12)21-18(25)16-17(20)24(23-22-16)11-13-4-3-5-14(19)10-13/h3-10H,2,11,20H2,1H3,(H,21,25)
InChIKeyRPKMNNRVIBPGRU-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.38
Rot. Bonds5

About 5-amino-1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)triazole-4-carboxamide

5-amino-1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)triazole-4-carboxamide (PubChem CID 7386062) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 5-amino-1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)triazole-4-carboxamide
PubChem CID7386062
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name5-amino-1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)triazole-4-carboxamide
SMILESCCc1ccc(NC(=O)c2nnn(Cc3cccc(Cl)c3)c2N)cc1
InChIInChI=1S/C18H18ClN5O/c1-2-12-6-8-15(9-7-12)21-18(25)16-17(20)24(23-22-16)11-13-4-3-5-14(19)10-13/h3-10H,2,11,20H2,1H3,(H,21,25)
InChIKeyRPKMNNRVIBPGRU-UHFFFAOYSA-N
XLogP3.38
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-[(3-chlorophenyl)methyl]-N-(4-fluorophenyl)triazole-4-carboxamide
CID 2134328
5-amino-N-(3-chlorophenyl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide
CID 7386138
5-amino-1-[(3-chlorophenyl)methyl]-N-(3-methylsulfanylphenyl)triazole-4-carboxamide
CID 7386065
5-amino-1-[(3-chlorophenyl)methyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide
CID 18578884
5-amino-1-[(3-bromophenyl)methyl]-N-(3-ethylphenyl)triazole-4-carboxamide
CID 7386131
methyl 4-[[5-amino-1-[(3-fluorophenyl)methyl]triazole-4-carbonyl]amino]benzoate
CID 7386162
5-amino-1-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 7385971
5-amino-1-[(2-chlorophenyl)methyl]-N-(3-ethylphenyl)triazole-4-carboxamide
CID 7386108
5-amino-N-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide
CID 7386140
5-amino-1-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-(4-ethylphenyl)triazole-4-carboxamide
CID 20853707
5-amino-1-[(4-chlorophenyl)methyl]-N-(3,5-dimethoxyphenyl)triazole-4-carboxamide
CID 7385969
5-amino-N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 20862542

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)triazole-4-carboxamide (CID 7386062) is 5-amino-1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)triazole-4-carboxamide is CCc1ccc(NC(=O)c2nnn(Cc3cccc(Cl)c3)c2N)cc1.
What is the InChIKey of 5-amino-1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)triazole-4-carboxamide?
The InChIKey is RPKMNNRVIBPGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-2-12-6-8-15(9-7-12)21-18(25)16-17(20)24(23-22-16)11-13-4-3-5-14(19)10-13/h3-10H,2,11,20H2,1H3,(H,21,25).
What are the key properties of 5-amino-1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)triazole-4-carboxamide?
5-amino-1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)triazole-4-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(3-chlorophenyl)methyl]-N-(4-ethylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 7386062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).