5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide

C17H16ClN5O2 — CID 6498251

IUPAC5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C17H16ClN5O2/c1-2-25-14-6-4-3-5-13(14)20-17(24)15-16(19)23(22-21-15)12-9-7-11(18)8-10-12/h3-10H,2,19H2,1H3,(H,20,24)
InChIKeyKFIFYNBJRNHPKM-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.15
Rot. Bonds5

About 5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide

5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide (PubChem CID 6498251) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide
PubChem CID6498251
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C17H16ClN5O2/c1-2-25-14-6-4-3-5-13(14)20-17(24)15-16(19)23(22-21-15)12-9-7-11(18)8-10-12/h3-10H,2,19H2,1H3,(H,20,24)
InChIKeyKFIFYNBJRNHPKM-UHFFFAOYSA-N
XLogP3.15
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(3-chloro-2-methylphenyl)-1-(4-ethoxyphenyl)triazole-4-carboxamide
CID 27261708
1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 6484735
5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide
CID 27245734
5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide
CID 20853662
5-amino-1-[(3-chlorophenyl)methyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide
CID 18578884
1-(4-chlorophenyl)-N-(2-ethoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745548
5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide
CID 17014891
3,5-dichloro-N-(2-ethoxyphenyl)benzamide
CID 2442507
N-(2-ethoxyphenyl)-1H-indazole-3-carboxamide
CID 16866355
N-(2-ethoxyphenyl)-5-(methoxymethyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 16651724
N-(2-ethoxyphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 22516243
1-(4-chlorophenyl)-N-(2-methylphenyl)-5-propan-2-yltriazole-4-carboxamide
CID 16652084

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide (CID 6498251) is 5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide is CCOc1ccccc1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1N.
What is the InChIKey of 5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide?
The InChIKey is KFIFYNBJRNHPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-2-25-14-6-4-3-5-13(14)20-17(24)15-16(19)23(22-21-15)12-9-7-11(18)8-10-12/h3-10H,2,19H2,1H3,(H,20,24).
What are the key properties of 5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide?
5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 6498251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).