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

C18H19N5O2 — CID 6471255

IUPACN-[5-[(4-methoxyphenyl)methylamino]-1-phenyl-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccc(CNc2nc(NC(C)=O)nn2-c2ccccc2)cc1
InChIInChI=1S/C18H19N5O2/c1-13(24)20-17-21-18(23(22-17)15-6-4-3-5-7-15)19-12-14-8-10-16(25-2)11-9-14/h3-11H,12H2,1-2H3,(H2,19,20,21,22,24)
InChIKeyHZKAQQPQVNOLOP-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.85
Rot. Bonds6

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

N-[5-[(4-methoxyphenyl)methylamino]-1-phenyl-1,2,4-triazol-3-yl]acetamide (PubChem CID 6471255) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)methylamino]-1-phenyl-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)methylamino]-1-phenyl-1,2,4-triazol-3-yl]acetamide
PubChem CID6471255
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[5-[(4-methoxyphenyl)methylamino]-1-phenyl-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccc(CNc2nc(NC(C)=O)nn2-c2ccccc2)cc1
InChIInChI=1S/C18H19N5O2/c1-13(24)20-17-21-18(23(22-17)15-6-4-3-5-7-15)19-12-14-8-10-16(25-2)11-9-14/h3-11H,12H2,1-2H3,(H2,19,20,21,22,24)
InChIKeyHZKAQQPQVNOLOP-UHFFFAOYSA-N
XLogP2.85
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxyphenyl)methylamino]-1-phenyl-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)methylamino]-1-phenyl-1,2,4-triazol-3-yl]acetamide (CID 6471255) is N-[5-[(4-methoxyphenyl)methylamino]-1-phenyl-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)methylamino]-1-phenyl-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)methylamino]-1-phenyl-1,2,4-triazol-3-yl]acetamide is COc1ccc(CNc2nc(NC(C)=O)nn2-c2ccccc2)cc1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)methylamino]-1-phenyl-1,2,4-triazol-3-yl]acetamide?
The InChIKey is HZKAQQPQVNOLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13(24)20-17-21-18(23(22-17)15-6-4-3-5-7-15)19-12-14-8-10-16(25-2)11-9-14/h3-11H,12H2,1-2H3,(H2,19,20,21,22,24).
What are the key properties of N-[5-[(4-methoxyphenyl)methylamino]-1-phenyl-1,2,4-triazol-3-yl]acetamide?
N-[5-[(4-methoxyphenyl)methylamino]-1-phenyl-1,2,4-triazol-3-yl]acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxyphenyl)methylamino]-1-phenyl-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 6471255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).