N-methyl-2-phenyl-N-(1,2,4-triazol-4-yl)acetamide

C11H12N4O — CID 1214462

IUPACN-methyl-2-phenyl-N-(1,2,4-triazol-4-yl)acetamide
SMILESCN(C(=O)Cc1ccccc1)n1cnnc1
InChIInChI=1S/C11H12N4O/c1-14(15-8-12-13-9-15)11(16)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChIKeyNGQLBHRYXFKEEA-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.62
Rot. Bonds3

About N-methyl-2-phenyl-N-(1,2,4-triazol-4-yl)acetamide

N-methyl-2-phenyl-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 1214462) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID1214462
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN-methyl-2-phenyl-N-(1,2,4-triazol-4-yl)acetamide
SMILESCN(C(=O)Cc1ccccc1)n1cnnc1
InChIInChI=1S/C11H12N4O/c1-14(15-8-12-13-9-15)11(16)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChIKeyNGQLBHRYXFKEEA-UHFFFAOYSA-N
XLogP0.62
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N-methyl-2-phenyl-N-(1,2,4-triazol-4-yl)acetamide (CID 1214462) is N-methyl-2-phenyl-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N-methyl-2-phenyl-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N-methyl-2-phenyl-N-(1,2,4-triazol-4-yl)acetamide is CN(C(=O)Cc1ccccc1)n1cnnc1.
What is the InChIKey of N-methyl-2-phenyl-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is NGQLBHRYXFKEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-14(15-8-12-13-9-15)11(16)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3.
What are the key properties of N-methyl-2-phenyl-N-(1,2,4-triazol-4-yl)acetamide?
N-methyl-2-phenyl-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 216.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 1214462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).