5-amino-N-(3,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]triazole-4-carboxamide

C20H23N5O — CID 5309788

IUPAC5-amino-N-(3,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]triazole-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2nnn(Cc3cc(C)ccc3C)c2N)c1
InChIInChI=1S/C20H23N5O/c1-12-5-6-15(4)16(8-12)11-25-19(21)18(23-24-25)20(26)22-17-9-13(2)7-14(3)10-17/h5-10H,11,21H2,1-4H3,(H,22,26)
InChIKeyMZWIGNYQWFXWMM-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.39
Rot. Bonds4

About 5-amino-N-(3,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]triazole-4-carboxamide

5-amino-N-(3,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]triazole-4-carboxamide (PubChem CID 5309788) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-amino-N-(3,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]triazole-4-carboxamide
PubChem CID5309788
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name5-amino-N-(3,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]triazole-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2nnn(Cc3cc(C)ccc3C)c2N)c1
InChIInChI=1S/C20H23N5O/c1-12-5-6-15(4)16(8-12)11-25-19(21)18(23-24-25)20(26)22-17-9-13(2)7-14(3)10-17/h5-10H,11,21H2,1-4H3,(H,22,26)
InChIKeyMZWIGNYQWFXWMM-UHFFFAOYSA-N
XLogP3.39
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(3,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]triazole-4-carboxamide (CID 5309788) is 5-amino-N-(3,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(3,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(3,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]triazole-4-carboxamide is Cc1cc(C)cc(NC(=O)c2nnn(Cc3cc(C)ccc3C)c2N)c1.
What is the InChIKey of 5-amino-N-(3,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]triazole-4-carboxamide?
The InChIKey is MZWIGNYQWFXWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-12-5-6-15(4)16(8-12)11-25-19(21)18(23-24-25)20(26)22-17-9-13(2)7-14(3)10-17/h5-10H,11,21H2,1-4H3,(H,22,26).
What are the key properties of 5-amino-N-(3,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]triazole-4-carboxamide?
5-amino-N-(3,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]triazole-4-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 5309788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).