[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone

C17H16N4O3 — CID 753284

IUPAC[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2nc(-c3ccc(OC)cc3)nc2N)cc1
InChIInChI=1S/C17H16N4O3/c1-23-13-7-3-11(4-8-13)15-19-17(18)21(20-15)16(22)12-5-9-14(24-2)10-6-12/h3-10H,1-2H3,(H2,18,19,20)
InChIKeyFAUKZAWYCTXUJL-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.23
Rot. Bonds4

About [5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone

[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 753284) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is [5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone
PubChem CID753284
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2nc(-c3ccc(OC)cc3)nc2N)cc1
InChIInChI=1S/C17H16N4O3/c1-23-13-7-3-11(4-8-13)15-19-17(18)21(20-15)16(22)12-5-9-14(24-2)10-6-12/h3-10H,1-2H3,(H2,18,19,20)
InChIKeyFAUKZAWYCTXUJL-UHFFFAOYSA-N
XLogP2.23
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone (CID 753284) is [5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)n2nc(-c3ccc(OC)cc3)nc2N)cc1.
What is the InChIKey of [5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is FAUKZAWYCTXUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-23-13-7-3-11(4-8-13)15-19-17(18)21(20-15)16(22)12-5-9-14(24-2)10-6-12/h3-10H,1-2H3,(H2,18,19,20).
What are the key properties of [5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone?
[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 324.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 753284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).