2-methoxy-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide

C13H16N4O2 — CID 2738923

IUPAC2-methoxy-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide
SMILESCOCC(=O)NCc1nn(-c2ccccc2)nc1C
InChIInChI=1S/C13H16N4O2/c1-10-12(8-14-13(18)9-19-2)16-17(15-10)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,14,18)
InChIKeyDDVINUBFBBRJHL-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.84
Rot. Bonds5

About 2-methoxy-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide

2-methoxy-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide (PubChem CID 2738923) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-methoxy-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide
PubChem CID2738923
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-methoxy-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide
SMILESCOCC(=O)NCc1nn(-c2ccccc2)nc1C
InChIInChI=1S/C13H16N4O2/c1-10-12(8-14-13(18)9-19-2)16-17(15-10)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,14,18)
InChIKeyDDVINUBFBBRJHL-UHFFFAOYSA-N
XLogP0.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide?
The IUPAC name of 2-methoxy-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide (CID 2738923) is 2-methoxy-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide is COCC(=O)NCc1nn(-c2ccccc2)nc1C.
What is the InChIKey of 2-methoxy-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide?
The InChIKey is DDVINUBFBBRJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-10-12(8-14-13(18)9-19-2)16-17(15-10)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,14,18).
What are the key properties of 2-methoxy-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide?
2-methoxy-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide has a molecular weight of 260.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 2738923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).