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

C16H13Cl2N5O2 — CID 27245734

IUPAC5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C16H13Cl2N5O2/c1-25-13-7-4-10(18)8-12(13)20-16(24)14-15(19)23(22-21-14)11-5-2-9(17)3-6-11/h2-8H,19H2,1H3,(H,20,24)
InChIKeySFBMBUGVKRJPIO-UHFFFAOYSA-N
MW378.22 g/mol
LogP3.42
Rot. Bonds4

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

5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide (PubChem CID 27245734) has the molecular formula C16H13Cl2N5O2 and a molecular weight of 378.22 g/mol. Its IUPAC name is 5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide
PubChem CID27245734
Molecular FormulaC16H13Cl2N5O2
Molecular Weight378.22 g/mol
Exact Mass377.04
IUPAC Name5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1N
InChIInChI=1S/C16H13Cl2N5O2/c1-25-13-7-4-10(18)8-12(13)20-16(24)14-15(19)23(22-21-14)11-5-2-9(17)3-6-11/h2-8H,19H2,1H3,(H,20,24)
InChIKeySFBMBUGVKRJPIO-UHFFFAOYSA-N
XLogP3.42
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)triazole-4-carboxamide
CID 27261436
5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 17015721
N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2144859
5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 17015741
5-amino-1-(4-chlorophenyl)-N-(2-ethoxyphenyl)triazole-4-carboxamide
CID 6498251
1-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 16651925
5-amino-1-[(4-bromophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)triazole-4-carboxamide
CID 18578875
N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191963
5-amino-N-(3-chloro-4-methoxyphenyl)-1-(4-fluorophenyl)triazole-4-carboxamide
CID 17015793
N-(5-acetyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-(methoxymethyl)triazole-4-carboxamide
CID 16651940
4-amino-N-(5-chloro-2-methoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688661
5-amino-1-(3-chlorophenyl)-N-(4-methoxyphenyl)triazole-4-carboxamide
CID 17015790

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide (CID 27245734) is 5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1N.
What is the InChIKey of 5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide?
The InChIKey is SFBMBUGVKRJPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O2/c1-25-13-7-4-10(18)8-12(13)20-16(24)14-15(19)23(22-21-14)11-5-2-9(17)3-6-11/h2-8H,19H2,1H3,(H,20,24).
What are the key properties of 5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide?
5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide has a molecular weight of 378.22 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide is sourced from PubChem (CID 27245734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).