N-acetyl-N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]acetamide

C19H18N4O3 — CID 118721224

IUPACN-acetyl-N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccc(-c2nc(N(C(C)=O)C(C)=O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H18N4O3/c1-13(24)22(14(2)25)19-20-18(15-9-11-17(26-3)12-10-15)21-23(19)16-7-5-4-6-8-16/h4-12H,1-3H3
InChIKeyZCNIKNHPFPJOGM-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.84
Rot. Bonds4

About N-acetyl-N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]acetamide

N-acetyl-N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]acetamide (PubChem CID 118721224) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-acetyl-N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]acetamide
PubChem CID118721224
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-acetyl-N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccc(-c2nc(N(C(C)=O)C(C)=O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H18N4O3/c1-13(24)22(14(2)25)19-20-18(15-9-11-17(26-3)12-10-15)21-23(19)16-7-5-4-6-8-16/h4-12H,1-3H3
InChIKeyZCNIKNHPFPJOGM-UHFFFAOYSA-N
XLogP2.84
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of N-acetyl-N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]acetamide (CID 118721224) is N-acetyl-N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-acetyl-N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-acetyl-N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]acetamide is COc1ccc(-c2nc(N(C(C)=O)C(C)=O)n(-c3ccccc3)n2)cc1.
What is the InChIKey of N-acetyl-N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]acetamide?
The InChIKey is ZCNIKNHPFPJOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13(24)22(14(2)25)19-20-18(15-9-11-17(26-3)12-10-15)21-23(19)16-7-5-4-6-8-16/h4-12H,1-3H3.
What are the key properties of N-acetyl-N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]acetamide?
N-acetyl-N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]acetamide has a molecular weight of 350.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 118721224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).