2-amino-6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide

C13H17N5O — CID 80680803

IUPAC2-amino-6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCc1cccc(N)c1C(=O)NCCc1ncn(C)n1
InChIInChI=1S/C13H17N5O/c1-9-4-3-5-10(14)12(9)13(19)15-7-6-11-16-8-18(2)17-11/h3-5,8H,6-7,14H2,1-2H3,(H,15,19)
InChIKeyILEDBHMLBXUMQG-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.68
Rot. Bonds4

About 2-amino-6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide

2-amino-6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 80680803) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-amino-6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
PubChem CID80680803
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-amino-6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCc1cccc(N)c1C(=O)NCCc1ncn(C)n1
InChIInChI=1S/C13H17N5O/c1-9-4-3-5-10(14)12(9)13(19)15-7-6-11-16-8-18(2)17-11/h3-5,8H,6-7,14H2,1-2H3,(H,15,19)
InChIKeyILEDBHMLBXUMQG-UHFFFAOYSA-N
XLogP0.68
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide;hydrochloride
CID 119999188
2-amino-6-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 24701596
2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80686371
2-(4-aminophenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 80680888
2-amino-6-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 60895526
2-amino-6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238942
2-methyl-3-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,3-diamine
CID 80681480
2-amino-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 16793479
2-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrol-1-yl]acetic acid
CID 80689527
4-amino-2-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80681439
3-methyl-4-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80685923
2-amino-N-(3-methoxypropyl)-6-methylbenzamide
CID 43153249

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The IUPAC name of 2-amino-6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide (CID 80680803) is 2-amino-6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-amino-6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-amino-6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is Cc1cccc(N)c1C(=O)NCCc1ncn(C)n1.
What is the InChIKey of 2-amino-6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The InChIKey is ILEDBHMLBXUMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-4-3-5-10(14)12(9)13(19)15-7-6-11-16-8-18(2)17-11/h3-5,8H,6-7,14H2,1-2H3,(H,15,19).
What are the key properties of 2-amino-6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide?
2-amino-6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 259.31 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 80680803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).