N-benzyl-2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)-N-phenylacetamide

C18H18N4O2 — CID 172635925

IUPACN-benzyl-2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)-N-phenylacetamide
SMILESCn1c(CC(=O)N(Cc2ccccc2)c2ccccc2)n[nH]c1=O
InChIInChI=1S/C18H18N4O2/c1-21-16(19-20-18(21)24)12-17(23)22(15-10-6-3-7-11-15)13-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,20,24)
InChIKeyVRIJCYXVAGJSGQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.88
Rot. Bonds5

About N-benzyl-2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)-N-phenylacetamide

N-benzyl-2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)-N-phenylacetamide (PubChem CID 172635925) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-benzyl-2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)-N-phenylacetamide
PubChem CID172635925
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-benzyl-2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)-N-phenylacetamide
SMILESCn1c(CC(=O)N(Cc2ccccc2)c2ccccc2)n[nH]c1=O
InChIInChI=1S/C18H18N4O2/c1-21-16(19-20-18(21)24)12-17(23)22(15-10-6-3-7-11-15)13-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,20,24)
InChIKeyVRIJCYXVAGJSGQ-UHFFFAOYSA-N
XLogP1.88
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-ethyl-2-[[5-oxo-4-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)-N-phenylacetamide?
The IUPAC name of N-benzyl-2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)-N-phenylacetamide (CID 172635925) is N-benzyl-2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)-N-phenylacetamide is Cn1c(CC(=O)N(Cc2ccccc2)c2ccccc2)n[nH]c1=O.
What is the InChIKey of N-benzyl-2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)-N-phenylacetamide?
The InChIKey is VRIJCYXVAGJSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-21-16(19-20-18(21)24)12-17(23)22(15-10-6-3-7-11-15)13-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,20,24).
What are the key properties of N-benzyl-2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)-N-phenylacetamide?
N-benzyl-2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)-N-phenylacetamide has a molecular weight of 322.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)-N-phenylacetamide is sourced from PubChem (CID 172635925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).