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

C14H19N5O — CID 80685923

IUPAC3-methyl-4-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCNc1ccc(C(=O)NCCc2ncn(C)n2)cc1C
InChIInChI=1S/C14H19N5O/c1-10-8-11(4-5-12(10)15-2)14(20)16-7-6-13-17-9-19(3)18-13/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,20)
InChIKeyDYUUDUIBIOKGPH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.14
Rot. Bonds5

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

3-methyl-4-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 80685923) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-methyl-4-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
PubChem CID80685923
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-methyl-4-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCNc1ccc(C(=O)NCCc2ncn(C)n2)cc1C
InChIInChI=1S/C14H19N5O/c1-10-8-11(4-5-12(10)15-2)14(20)16-7-6-13-17-9-19(3)18-13/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,20)
InChIKeyDYUUDUIBIOKGPH-UHFFFAOYSA-N
XLogP1.14
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide
CID 63213649
4-hydroxy-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 113358719
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 80683251
3-methyl-4-(methylamino)-N-(2-pyridin-3-ylethyl)benzamide
CID 63210322
6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 80688805
2-hydrazinyl-4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80685934
2-amino-6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80680803
3-methyl-4-(methylamino)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 63213606
3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114516650
2-[[3-methyl-4-(methylamino)benzoyl]amino]ethyl carbamate
CID 83214863
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxobutanamide
CID 80682025
2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80686371

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The IUPAC name of 3-methyl-4-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (CID 80685923) is 3-methyl-4-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-methyl-4-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-methyl-4-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is CNc1ccc(C(=O)NCCc2ncn(C)n2)cc1C.
What is the InChIKey of 3-methyl-4-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The InChIKey is DYUUDUIBIOKGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-8-11(4-5-12(10)15-2)14(20)16-7-6-13-17-9-19(3)18-13/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,20).
What are the key properties of 3-methyl-4-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
3-methyl-4-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 80685923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).