5-amino-N-(2-methoxy-5-methylphenyl)-1-(2-phenylethyl)triazole-4-carboxamide

C19H21N5O2 — CID 2135897

IUPAC5-amino-N-(2-methoxy-5-methylphenyl)-1-(2-phenylethyl)triazole-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1nnn(CCc2ccccc2)c1N
InChIInChI=1S/C19H21N5O2/c1-13-8-9-16(26-2)15(12-13)21-19(25)17-18(20)24(23-22-17)11-10-14-6-4-3-5-7-14/h3-9,12H,10-11,20H2,1-2H3,(H,21,25)
InChIKeyNVFNACJXRYJOFN-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.67
Rot. Bonds6

About 5-amino-N-(2-methoxy-5-methylphenyl)-1-(2-phenylethyl)triazole-4-carboxamide

5-amino-N-(2-methoxy-5-methylphenyl)-1-(2-phenylethyl)triazole-4-carboxamide (PubChem CID 2135897) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-amino-N-(2-methoxy-5-methylphenyl)-1-(2-phenylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-methoxy-5-methylphenyl)-1-(2-phenylethyl)triazole-4-carboxamide
PubChem CID2135897
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5-amino-N-(2-methoxy-5-methylphenyl)-1-(2-phenylethyl)triazole-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1nnn(CCc2ccccc2)c1N
InChIInChI=1S/C19H21N5O2/c1-13-8-9-16(26-2)15(12-13)21-19(25)17-18(20)24(23-22-17)11-10-14-6-4-3-5-7-14/h3-9,12H,10-11,20H2,1-2H3,(H,21,25)
InChIKeyNVFNACJXRYJOFN-UHFFFAOYSA-N
XLogP2.67
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methoxy-5-methylphenyl)-1-(2-phenylethyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2-methoxy-5-methylphenyl)-1-(2-phenylethyl)triazole-4-carboxamide (CID 2135897) is 5-amino-N-(2-methoxy-5-methylphenyl)-1-(2-phenylethyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-methoxy-5-methylphenyl)-1-(2-phenylethyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-methoxy-5-methylphenyl)-1-(2-phenylethyl)triazole-4-carboxamide is COc1ccc(C)cc1NC(=O)c1nnn(CCc2ccccc2)c1N.
What is the InChIKey of 5-amino-N-(2-methoxy-5-methylphenyl)-1-(2-phenylethyl)triazole-4-carboxamide?
The InChIKey is NVFNACJXRYJOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-8-9-16(26-2)15(12-13)21-19(25)17-18(20)24(23-22-17)11-10-14-6-4-3-5-7-14/h3-9,12H,10-11,20H2,1-2H3,(H,21,25).
What are the key properties of 5-amino-N-(2-methoxy-5-methylphenyl)-1-(2-phenylethyl)triazole-4-carboxamide?
5-amino-N-(2-methoxy-5-methylphenyl)-1-(2-phenylethyl)triazole-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methoxy-5-methylphenyl)-1-(2-phenylethyl)triazole-4-carboxamide is sourced from PubChem (CID 2135897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).