N-[(2-phenyltriazol-4-yl)methyl]acetamide

C11H12N4O — CID 89495010

IUPACN-[(2-phenyltriazol-4-yl)methyl]acetamide
SMILESCC(=O)NCc1cnn(-c2ccccc2)n1
InChIInChI=1S/C11H12N4O/c1-9(16)12-7-10-8-13-15(14-10)11-5-3-2-4-6-11/h2-6,8H,7H2,1H3,(H,12,16)
InChIKeyVVPIWJQIUSGLEW-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.90
Rot. Bonds3

About N-[(2-phenyltriazol-4-yl)methyl]acetamide

N-[(2-phenyltriazol-4-yl)methyl]acetamide (PubChem CID 89495010) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N-[(2-phenyltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-phenyltriazol-4-yl)methyl]acetamide
PubChem CID89495010
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN-[(2-phenyltriazol-4-yl)methyl]acetamide
SMILESCC(=O)NCc1cnn(-c2ccccc2)n1
InChIInChI=1S/C11H12N4O/c1-9(16)12-7-10-8-13-15(14-10)11-5-3-2-4-6-11/h2-6,8H,7H2,1H3,(H,12,16)
InChIKeyVVPIWJQIUSGLEW-UHFFFAOYSA-N
XLogP0.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyltriazol-4-yl)methyl]acetamide?
The IUPAC name of N-[(2-phenyltriazol-4-yl)methyl]acetamide (CID 89495010) is N-[(2-phenyltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-phenyltriazol-4-yl)methyl]acetamide?
The canonical SMILES for N-[(2-phenyltriazol-4-yl)methyl]acetamide is CC(=O)NCc1cnn(-c2ccccc2)n1.
What is the InChIKey of N-[(2-phenyltriazol-4-yl)methyl]acetamide?
The InChIKey is VVPIWJQIUSGLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-9(16)12-7-10-8-13-15(14-10)11-5-3-2-4-6-11/h2-6,8H,7H2,1H3,(H,12,16).
What are the key properties of N-[(2-phenyltriazol-4-yl)methyl]acetamide?
N-[(2-phenyltriazol-4-yl)methyl]acetamide has a molecular weight of 216.24 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 89495010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).