5-methyl-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

C13H17N5O — CID 106283670

IUPAC5-methyl-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCNc1ccc(C)cc1C(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C13H17N5O/c1-8-4-5-11(14-3)10(6-8)13(19)17-9(2)12-15-7-16-18-12/h4-7,9,14H,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyOOBXOEHEGLJVSA-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.65
Rot. Bonds4

About 5-methyl-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

5-methyl-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (PubChem CID 106283670) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-methyl-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-methyl-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
PubChem CID106283670
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name5-methyl-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCNc1ccc(C)cc1C(=O)NC(C)c1ncn[nH]1
InChIInChI=1S/C13H17N5O/c1-8-4-5-11(14-3)10(6-8)13(19)17-9(2)12-15-7-16-18-12/h4-7,9,14H,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyOOBXOEHEGLJVSA-UHFFFAOYSA-N
XLogP1.65
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106283174
2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 113246898
2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283558
5-bromo-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283519
2-amino-5-hydroxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 114167823
N-[1-(2-fluorophenyl)ethyl]-5-methyl-2-(methylamino)benzamide
CID 62508680
5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716401
N-heptan-2-yl-5-methyl-2-(methylamino)benzamide
CID 62509942
2-amino-4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 104878265
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide
CID 103725802
2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106283696
2-chloro-5-methylsulfanyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716393

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The IUPAC name of 5-methyl-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (CID 106283670) is 5-methyl-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 5-methyl-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The canonical SMILES for 5-methyl-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is CNc1ccc(C)cc1C(=O)NC(C)c1ncn[nH]1.
What is the InChIKey of 5-methyl-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The InChIKey is OOBXOEHEGLJVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-8-4-5-11(14-3)10(6-8)13(19)17-9(2)12-15-7-16-18-12/h4-7,9,14H,1-3H3,(H,17,19)(H,15,16,18).
What are the key properties of 5-methyl-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
5-methyl-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide has a molecular weight of 259.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 106283670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).