5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

C23H22N4O2 — CID 42693035

IUPAC5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3ccc(C(C)C)cc3)nc2-c2ccco2)c1
InChIInChI=1S/C23H22N4O2/c1-15(2)17-9-11-18(12-10-17)24-23(28)21-25-22(20-8-5-13-29-20)27(26-21)19-7-4-6-16(3)14-19/h4-15H,1-3H3,(H,24,28)
InChIKeyATLMRDVKTHCHNC-UHFFFAOYSA-N
MW386.46 g/mol
LogP5.21
Rot. Bonds5

About 5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42693035) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
PubChem CID42693035
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
SMILESCc1cccc(-n2nc(C(=O)Nc3ccc(C(C)C)cc3)nc2-c2ccco2)c1
InChIInChI=1S/C23H22N4O2/c1-15(2)17-9-11-18(12-10-17)24-23(28)21-25-22(20-8-5-13-29-20)27(26-21)19-7-4-6-16(3)14-19/h4-15H,1-3H3,(H,24,28)
InChIKeyATLMRDVKTHCHNC-UHFFFAOYSA-N
XLogP5.21
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide (CID 42693035) is 5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide is Cc1cccc(-n2nc(C(=O)Nc3ccc(C(C)C)cc3)nc2-c2ccco2)c1.
What is the InChIKey of 5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is ATLMRDVKTHCHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15(2)17-9-11-18(12-10-17)24-23(28)21-25-22(20-8-5-13-29-20)27(26-21)19-7-4-6-16(3)14-19/h4-15H,1-3H3,(H,24,28).
What are the key properties of 5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide?
5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42693035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).