5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide

C18H19N5O2 — CID 17015807

IUPAC5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)Nc3ccc(C)cc3C)c2N)cc1
InChIInChI=1S/C18H19N5O2/c1-11-4-9-15(12(2)10-11)20-18(24)16-17(19)23(22-21-16)13-5-7-14(25-3)8-6-13/h4-10H,19H2,1-3H3,(H,20,24)
InChIKeyNRTXXMQGBOBUNO-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.73
Rot. Bonds4

About 5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide

5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide (PubChem CID 17015807) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
PubChem CID17015807
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)Nc3ccc(C)cc3C)c2N)cc1
InChIInChI=1S/C18H19N5O2/c1-11-4-9-15(12(2)10-11)20-18(24)16-17(19)23(22-21-16)13-5-7-14(25-3)8-6-13/h4-10H,19H2,1-3H3,(H,20,24)
InChIKeyNRTXXMQGBOBUNO-UHFFFAOYSA-N
XLogP2.73
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 17014925
5-amino-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 17015721
N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150262
5-amino-N-(2-chloro-5-methoxyphenyl)-1-(3-methylphenyl)triazole-4-carboxamide
CID 17015703
5-amino-N-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 27261131
5-amino-N-(2,5-dimethoxyphenyl)-1-phenyltriazole-4-carboxamide
CID 17015741
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2150290
N-(2,4-dimethylphenyl)-5-methyl-1-phenyltriazole-4-carboxamide
CID 2150249
1-[4-(difluoromethoxy)phenyl]-N-(2,4-dimethylphenyl)-5-ethyltriazole-4-carboxamide
CID 16654323
N-(2,4-dimethylphenyl)-5-(methoxymethyl)-1-phenyltriazole-4-carboxamide
CID 16651250
5-amino-N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)triazole-4-carboxamide
CID 27245734
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-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide (CID 17015807) is 5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide is COc1ccc(-n2nnc(C(=O)Nc3ccc(C)cc3C)c2N)cc1.
What is the InChIKey of 5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide?
The InChIKey is NRTXXMQGBOBUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-11-4-9-15(12(2)10-11)20-18(24)16-17(19)23(22-21-16)13-5-7-14(25-3)8-6-13/h4-10H,19H2,1-3H3,(H,20,24).
What are the key properties of 5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide?
5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,4-dimethylphenyl)-1-(4-methoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 17015807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).