4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-methylamino]propanoylamino]benzamide

C15H20N6O2 — CID 166331660

IUPAC4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-methylamino]propanoylamino]benzamide
SMILESCc1nnc(N(C)C(C)C(=O)Nc2ccc(C(N)=O)cc2)n1C
InChIInChI=1S/C15H20N6O2/c1-9(20(3)15-19-18-10(2)21(15)4)14(23)17-12-7-5-11(6-8-12)13(16)22/h5-9H,1-4H3,(H2,16,22)(H,17,23)
InChIKeyXLXRNLKRBLNKMN-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.69
Rot. Bonds5

About 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-methylamino]propanoylamino]benzamide

4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-methylamino]propanoylamino]benzamide (PubChem CID 166331660) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-methylamino]propanoylamino]benzamide.

Molecular Properties

Compound Name4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-methylamino]propanoylamino]benzamide
PubChem CID166331660
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-methylamino]propanoylamino]benzamide
SMILESCc1nnc(N(C)C(C)C(=O)Nc2ccc(C(N)=O)cc2)n1C
InChIInChI=1S/C15H20N6O2/c1-9(20(3)15-19-18-10(2)21(15)4)14(23)17-12-7-5-11(6-8-12)13(16)22/h5-9H,1-4H3,(H2,16,22)(H,17,23)
InChIKeyXLXRNLKRBLNKMN-UHFFFAOYSA-N
XLogP0.69
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-methylamino]propanoylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(2S)-2-chloropropanoyl]amino]benzamide
CID 2118148
4-[[(2S)-2-amino-3-methylbutanoyl]amino]benzamide
CID 22690703
4-[(3-amino-2-methylbutanoyl)amino]benzamide
CID 113416058
4-[[(2R)-2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]propanoyl]amino]benzamide
CID 96541344
4-[[(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]propanoyl]amino]benzamide
CID 8767331
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
4-[2-[(6-amino-3-pyridinyl)methyl-methylamino]propanoylamino]benzamide
CID 167951786
4-[[(2S)-2-[(3-methoxyphenyl)methyl-methylamino]propanoyl]amino]benzamide
CID 8514410
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782484
4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide
CID 9054222
4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide
CID 17424193
4-[[(2S)-2-(1-methylimidazol-2-yl)sulfanylpropanoyl]amino]benzamide
CID 40608634

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-methylamino]propanoylamino]benzamide?
The IUPAC name of 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-methylamino]propanoylamino]benzamide (CID 166331660) is 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-methylamino]propanoylamino]benzamide.
What is the SMILES notation for 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-methylamino]propanoylamino]benzamide?
The canonical SMILES for 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-methylamino]propanoylamino]benzamide is Cc1nnc(N(C)C(C)C(=O)Nc2ccc(C(N)=O)cc2)n1C.
What is the InChIKey of 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-methylamino]propanoylamino]benzamide?
The InChIKey is XLXRNLKRBLNKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-9(20(3)15-19-18-10(2)21(15)4)14(23)17-12-7-5-11(6-8-12)13(16)22/h5-9H,1-4H3,(H2,16,22)(H,17,23).
What are the key properties of 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-methylamino]propanoylamino]benzamide?
4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-methylamino]propanoylamino]benzamide has a molecular weight of 316.37 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)-methylamino]propanoylamino]benzamide is sourced from PubChem (CID 166331660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).