5-amino-N-(2,5-dimethoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide

C19H21N5O3 — CID 2135896

IUPAC5-amino-N-(2,5-dimethoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2nnn(CCc3ccccc3)c2N)c1
InChIInChI=1S/C19H21N5O3/c1-26-14-8-9-16(27-2)15(12-14)21-19(25)17-18(20)24(23-22-17)11-10-13-6-4-3-5-7-13/h3-9,12H,10-11,20H2,1-2H3,(H,21,25)
InChIKeyGVPUZAAIOHLOEW-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.37
Rot. Bonds7

About 5-amino-N-(2,5-dimethoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide

5-amino-N-(2,5-dimethoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide (PubChem CID 2135896) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-amino-N-(2,5-dimethoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,5-dimethoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide
PubChem CID2135896
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name5-amino-N-(2,5-dimethoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2nnn(CCc3ccccc3)c2N)c1
InChIInChI=1S/C19H21N5O3/c1-26-14-8-9-16(27-2)15(12-14)21-19(25)17-18(20)24(23-22-17)11-10-13-6-4-3-5-7-13/h3-9,12H,10-11,20H2,1-2H3,(H,21,25)
InChIKeyGVPUZAAIOHLOEW-UHFFFAOYSA-N
XLogP2.37
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,5-dimethoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2,5-dimethoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide (CID 2135896) is 5-amino-N-(2,5-dimethoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,5-dimethoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,5-dimethoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide is COc1ccc(OC)c(NC(=O)c2nnn(CCc3ccccc3)c2N)c1.
What is the InChIKey of 5-amino-N-(2,5-dimethoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide?
The InChIKey is GVPUZAAIOHLOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-26-14-8-9-16(27-2)15(12-14)21-19(25)17-18(20)24(23-22-17)11-10-13-6-4-3-5-7-13/h3-9,12H,10-11,20H2,1-2H3,(H,21,25).
What are the key properties of 5-amino-N-(2,5-dimethoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide?
5-amino-N-(2,5-dimethoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,5-dimethoxyphenyl)-1-(2-phenylethyl)triazole-4-carboxamide is sourced from PubChem (CID 2135896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).