5-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide

C12H16N6O — CID 63330742

IUPAC5-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
SMILESCn1cnnc1CCNc1ccc(N)cc1C(N)=O
InChIInChI=1S/C12H16N6O/c1-18-7-16-17-11(18)4-5-15-10-3-2-8(13)6-9(10)12(14)19/h2-3,6-7,15H,4-5,13H2,1H3,(H2,14,19)
InChIKeyZTAPPUXCQCIPHF-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.15
Rot. Bonds5

About 5-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide

5-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide (PubChem CID 63330742) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide.

Molecular Properties

Compound Name5-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
PubChem CID63330742
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name5-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
SMILESCn1cnnc1CCNc1ccc(N)cc1C(N)=O
InChIInChI=1S/C12H16N6O/c1-18-7-16-17-11(18)4-5-15-10-3-2-8(13)6-9(10)12(14)19/h2-3,6-7,15H,4-5,13H2,1H3,(H2,14,19)
InChIKeyZTAPPUXCQCIPHF-UHFFFAOYSA-N
XLogP0.15
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106106264
4-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
CID 63356921
3-amino-N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
CID 82989349
2-(2-acetamidoethylamino)-5-aminobenzamide
CID 61306770
5-amino-2-(3-methylbutylamino)benzamide
CID 61306874
4-amino-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
CID 80680908
4-amino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 63332267
5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzamide
CID 114516569
5-amino-2-(2-thiophen-3-ylethylamino)benzamide
CID 61475711
5-amino-2-[2-(2-fluorophenyl)ethylamino]benzamide
CID 61307952
5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzoic acid
CID 106106257
ethyl 5-amino-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzoate
CID 80684480

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide?
The IUPAC name of 5-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide (CID 63330742) is 5-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide.
What is the SMILES notation for 5-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide?
The canonical SMILES for 5-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide is Cn1cnnc1CCNc1ccc(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide?
The InChIKey is ZTAPPUXCQCIPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-18-7-16-17-11(18)4-5-15-10-3-2-8(13)6-9(10)12(14)19/h2-3,6-7,15H,4-5,13H2,1H3,(H2,14,19).
What are the key properties of 5-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide?
5-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide has a molecular weight of 260.30 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide is sourced from PubChem (CID 63330742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).