N-ethyl-N-methyl-3-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide

C15H21N5O — CID 146144959

IUPACN-ethyl-N-methyl-3-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
SMILESCCN(C)C(=O)c1cccc(NC(C)c2ncnn2C)c1
InChIInChI=1S/C15H21N5O/c1-5-19(3)15(21)12-7-6-8-13(9-12)18-11(2)14-16-10-17-20(14)4/h6-11,18H,5H2,1-4H3
InChIKeyRZERVOLGGWSPJZ-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.08
Rot. Bonds5

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

N-ethyl-N-methyl-3-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide (PubChem CID 146144959) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
PubChem CID146144959
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-ethyl-N-methyl-3-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
SMILESCCN(C)C(=O)c1cccc(NC(C)c2ncnn2C)c1
InChIInChI=1S/C15H21N5O/c1-5-19(3)15(21)12-7-6-8-13(9-12)18-11(2)14-16-10-17-20(14)4/h6-11,18H,5H2,1-4H3
InChIKeyRZERVOLGGWSPJZ-UHFFFAOYSA-N
XLogP2.08
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[3-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]phenyl]piperazin-1-yl]ethanone
CID 167840377
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N,3-diethyl-N-methylbenzamide
CID 89250993
3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzoic acid
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3-acetamido-N-methyl-N-(2-methylpropyl)benzamide
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CID 170603252
2-[3-(diethylcarbamoyl)anilino]propanoic acid
CID 66174088
N,N-diethyl-3-(5-methylhexan-2-ylamino)benzamide
CID 43107017
3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-N,N-dimethylbenzamide
CID 43725374
N,N-dimethyl-3-(4-methylpentan-2-ylamino)benzamide
CID 43725466
N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134023630
3-(methanethioylamino)-N-methyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 156701044

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide?
The IUPAC name of N-ethyl-N-methyl-3-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide (CID 146144959) is N-ethyl-N-methyl-3-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide.
What is the SMILES notation for N-ethyl-N-methyl-3-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide?
The canonical SMILES for N-ethyl-N-methyl-3-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide is CCN(C)C(=O)c1cccc(NC(C)c2ncnn2C)c1.
What is the InChIKey of N-ethyl-N-methyl-3-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide?
The InChIKey is RZERVOLGGWSPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-5-19(3)15(21)12-7-6-8-13(9-12)18-11(2)14-16-10-17-20(14)4/h6-11,18H,5H2,1-4H3.
What are the key properties of N-ethyl-N-methyl-3-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide?
N-ethyl-N-methyl-3-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide has a molecular weight of 287.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide is sourced from PubChem (CID 146144959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).