5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide

C19H20N4O5 — CID 73333094

IUPAC5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
SMILESCOc1ccc(-c2c(C(N)=O)nnn2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H20N4O5/c1-25-13-7-5-11(6-8-13)17-16(19(20)24)21-22-23(17)12-9-14(26-2)18(28-4)15(10-12)27-3/h5-10H,1-4H3,(H2,20,24)
InChIKeyGZOVKXTXKMUHLY-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.07
Rot. Bonds7

About 5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide

5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide (PubChem CID 73333094) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
PubChem CID73333094
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide
SMILESCOc1ccc(-c2c(C(N)=O)nnn2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H20N4O5/c1-25-13-7-5-11(6-8-13)17-16(19(20)24)21-22-23(17)12-9-14(26-2)18(28-4)15(10-12)27-3/h5-10H,1-4H3,(H2,20,24)
InChIKeyGZOVKXTXKMUHLY-UHFFFAOYSA-N
XLogP2.07
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide (CID 73333094) is 5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide is COc1ccc(-c2c(C(N)=O)nnn2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide?
The InChIKey is GZOVKXTXKMUHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-25-13-7-5-11(6-8-13)17-16(19(20)24)21-22-23(17)12-9-14(26-2)18(28-4)15(10-12)27-3/h5-10H,1-4H3,(H2,20,24).
What are the key properties of 5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide?
5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 73333094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).