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

C12H15N5O — CID 61140554

IUPAC2-amino-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCc1cccc(N)c1C(=O)NCc1nncn1C
InChIInChI=1S/C12H15N5O/c1-8-4-3-5-9(13)11(8)12(18)14-6-10-16-15-7-17(10)2/h3-5,7H,6,13H2,1-2H3,(H,14,18)
InChIKeyRMJACBZNBDXMEW-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.64
Rot. Bonds3

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

2-amino-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 61140554) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-amino-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID61140554
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-amino-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCc1cccc(N)c1C(=O)NCc1nncn1C
InChIInChI=1S/C12H15N5O/c1-8-4-3-5-9(13)11(8)12(18)14-6-10-16-15-7-17(10)2/h3-5,7H,6,13H2,1-2H3,(H,14,18)
InChIKeyRMJACBZNBDXMEW-UHFFFAOYSA-N
XLogP0.64
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.64
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

2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylbenzamide
CID 106301555
3-amino-4-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 54904691
2-(2-aminophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 61140363
2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 104916778
2-bromo-6-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 115678631
6-hydrazinyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 62237331
3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 105068860
4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 81242971
2-amino-5-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 107074730
2-amino-6-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 16782894
2-amino-4-fluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 63110019
3-amino-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 112578762

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 2-amino-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide (CID 61140554) is 2-amino-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-amino-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide is Cc1cccc(N)c1C(=O)NCc1nncn1C.
What is the InChIKey of 2-amino-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is RMJACBZNBDXMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-4-3-5-9(13)11(8)12(18)14-6-10-16-15-7-17(10)2/h3-5,7H,6,13H2,1-2H3,(H,14,18).
What are the key properties of 2-amino-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
2-amino-6-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 245.29 g/mol, XLogP of 0.64, 3 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-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 61140554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).