5-amino-1-[2-(2-methoxyanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide

C20H22N6O3 — CID 2134291

IUPAC5-amino-1-[2-(2-methoxyanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)Cn1nnc(C(=O)NCCc2ccccc2)c1N
InChIInChI=1S/C20H22N6O3/c1-29-16-10-6-5-9-15(16)23-17(27)13-26-19(21)18(24-25-26)20(28)22-12-11-14-7-3-2-4-8-14/h2-10H,11-13,21H2,1H3,(H,22,28)(H,23,27)
InChIKeyGUSSXCFSORRGRI-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.48
Rot. Bonds8

About 5-amino-1-[2-(2-methoxyanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide

5-amino-1-[2-(2-methoxyanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide (PubChem CID 2134291) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 5-amino-1-[2-(2-methoxyanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[2-(2-methoxyanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
PubChem CID2134291
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name5-amino-1-[2-(2-methoxyanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)Cn1nnc(C(=O)NCCc2ccccc2)c1N
InChIInChI=1S/C20H22N6O3/c1-29-16-10-6-5-9-15(16)23-17(27)13-26-19(21)18(24-25-26)20(28)22-12-11-14-7-3-2-4-8-14/h2-10H,11-13,21H2,1H3,(H,22,28)(H,23,27)
InChIKeyGUSSXCFSORRGRI-UHFFFAOYSA-N
XLogP1.48
TPSA124.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(2-methoxyanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide?
The IUPAC name of 5-amino-1-[2-(2-methoxyanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide (CID 2134291) is 5-amino-1-[2-(2-methoxyanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[2-(2-methoxyanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[2-(2-methoxyanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide is COc1ccccc1NC(=O)Cn1nnc(C(=O)NCCc2ccccc2)c1N.
What is the InChIKey of 5-amino-1-[2-(2-methoxyanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide?
The InChIKey is GUSSXCFSORRGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-29-16-10-6-5-9-15(16)23-17(27)13-26-19(21)18(24-25-26)20(28)22-12-11-14-7-3-2-4-8-14/h2-10H,11-13,21H2,1H3,(H,22,28)(H,23,27).
What are the key properties of 5-amino-1-[2-(2-methoxyanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide?
5-amino-1-[2-(2-methoxyanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 1.48, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2-methoxyanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide is sourced from PubChem (CID 2134291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).