2-methoxy-N-methyl-2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C13H16N4O2 — CID 64511674

IUPAC2-methoxy-N-methyl-2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCOC(C(=O)N(C)Cc1ncn[nH]1)c1ccccc1
InChIInChI=1S/C13H16N4O2/c1-17(8-11-14-9-15-16-11)13(18)12(19-2)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,14,15,16)
InChIKeyGAWPKJCUMMFVRF-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.15
Rot. Bonds5

About 2-methoxy-N-methyl-2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-methoxy-N-methyl-2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 64511674) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-methoxy-N-methyl-2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID64511674
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-methoxy-N-methyl-2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESCOC(C(=O)N(C)Cc1ncn[nH]1)c1ccccc1
InChIInChI=1S/C13H16N4O2/c1-17(8-11-14-9-15-16-11)13(18)12(19-2)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,14,15,16)
InChIKeyGAWPKJCUMMFVRF-UHFFFAOYSA-N
XLogP1.15
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N-methyl-2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 95631181
(2S)-2-methoxy-N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 95631182
2-[(2-methoxy-2-phenylacetyl)-methylamino]acetic acid
CID 62098562
2-(2-fluorophenyl)sulfanyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512642
methyl 2-[(2-methoxy-2-phenylacetyl)-methylamino]acetate
CID 60777893
3-(2-methoxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64512422
2-anilino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64517287
4-amino-3-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 103155987
3-[(2-methoxy-2-phenylacetyl)-methylamino]-2-methylpropanoic acid
CID 55038053
N-(cyanomethyl)-2-methoxy-N-methyl-2-phenylacetamide
CID 60606606
2-(aminomethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64511307
3-(2-hydroxyphenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64510727

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-methoxy-N-methyl-2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 64511674) is 2-methoxy-N-methyl-2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-methoxy-N-methyl-2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-methoxy-N-methyl-2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is COC(C(=O)N(C)Cc1ncn[nH]1)c1ccccc1.
What is the InChIKey of 2-methoxy-N-methyl-2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is GAWPKJCUMMFVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17(8-11-14-9-15-16-11)13(18)12(19-2)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-methoxy-N-methyl-2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-methoxy-N-methyl-2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 260.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-2-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 64511674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).