N-methyl-3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide

C12H14N4O2 — CID 75391007

IUPACN-methyl-3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide
SMILESCNC(=O)c1cccc(Cn2ncn(C)c2=O)c1
InChIInChI=1S/C12H14N4O2/c1-13-11(17)10-5-3-4-9(6-10)7-16-12(18)15(2)8-14-16/h3-6,8H,7H2,1-2H3,(H,13,17)
InChIKeyQZNBUAJUTBGDDV-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.01
Rot. Bonds3

About N-methyl-3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide

N-methyl-3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide (PubChem CID 75391007) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-methyl-3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide
PubChem CID75391007
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-methyl-3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide
SMILESCNC(=O)c1cccc(Cn2ncn(C)c2=O)c1
InChIInChI=1S/C12H14N4O2/c1-13-11(17)10-5-3-4-9(6-10)7-16-12(18)15(2)8-14-16/h3-6,8H,7H2,1-2H3,(H,13,17)
InChIKeyQZNBUAJUTBGDDV-UHFFFAOYSA-N
XLogP-0.01
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide
CID 113340193
N-[3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]phenyl]acetamide
CID 75390996
3-ethyl-N-methylbenzamide
CID 59115297
methyl 2-fluoro-4-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoate
CID 113340195
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
3-[[4-(1-hydroxybutan-2-yl)piperazin-1-yl]methyl]-N-methylbenzamide
CID 111489703
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide
CID 146131801
3-(cyanomethyl)-N-methylbenzamide
CID 69441046
N-[3-(methylcarbamoyl)phenyl]-3-(methylsulfinylmethyl)benzamide
CID 18146301
3-[(ethenylamino)methyl]-N-methylbenzamide
CID 156799319
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)benzamide
CID 19394333

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide?
The IUPAC name of N-methyl-3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide (CID 75391007) is N-methyl-3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-methyl-3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide?
The canonical SMILES for N-methyl-3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide is CNC(=O)c1cccc(Cn2ncn(C)c2=O)c1.
What is the InChIKey of N-methyl-3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide?
The InChIKey is QZNBUAJUTBGDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-13-11(17)10-5-3-4-9(6-10)7-16-12(18)15(2)8-14-16/h3-6,8H,7H2,1-2H3,(H,13,17).
What are the key properties of N-methyl-3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide?
N-methyl-3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide has a molecular weight of 246.27 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzamide is sourced from PubChem (CID 75391007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).