N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide

C12H14N4O2 — CID 78780331

IUPACN-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCOc1cccc(CNC(=O)Cn2cncn2)c1
InChIInChI=1S/C12H14N4O2/c1-18-11-4-2-3-10(5-11)6-14-12(17)7-16-9-13-8-15-16/h2-5,8-9H,6-7H2,1H3,(H,14,17)
InChIKeyJNMMBCDRMCGLKN-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.60
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 78780331) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID78780331
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCOc1cccc(CNC(=O)Cn2cncn2)c1
InChIInChI=1S/C12H14N4O2/c1-18-11-4-2-3-10(5-11)6-14-12(17)7-16-9-13-8-15-16/h2-5,8-9H,6-7H2,1H3,(H,14,17)
InChIKeyJNMMBCDRMCGLKN-UHFFFAOYSA-N
XLogP0.60
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-bromo-5-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 138024373
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate
CID 18141819
2-(1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 3299775
2-[4-(1-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 114419801
2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 116642158
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 31959825
N-[(3-methoxyphenyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
CID 86995676
N-[3-(methylaminomethyl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 43601866
5-iodo-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,4-triazole-3-carboxylic acid
CID 166720894
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
2-(4-fluoropiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 171701324

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 78780331) is N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide is COc1cccc(CNC(=O)Cn2cncn2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is JNMMBCDRMCGLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-11-4-2-3-10(5-11)6-14-12(17)7-16-9-13-8-15-16/h2-5,8-9H,6-7H2,1H3,(H,14,17).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 246.27 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 78780331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).