N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide

C15H15N7O — CID 56593834

IUPACN-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1
InChIInChI=1S/C15H15N7O/c1-10(23)18-11-5-7-12(8-6-11)19-15-20-14(16)22(21-15)13-4-2-3-9-17-13/h2-9H,1H3,(H,18,23)(H3,16,19,20,21)
InChIKeyUHENAIWHWGKWLJ-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.95
Rot. Bonds4

About N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide

N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide (PubChem CID 56593834) has the molecular formula C15H15N7O and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide
PubChem CID56593834
Molecular FormulaC15H15N7O
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC NameN-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1
InChIInChI=1S/C15H15N7O/c1-10(23)18-11-5-7-12(8-6-11)19-15-20-14(16)22(21-15)13-4-2-3-9-17-13/h2-9H,1H3,(H,18,23)(H3,16,19,20,21)
InChIKeyUHENAIWHWGKWLJ-UHFFFAOYSA-N
XLogP1.95
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide (CID 56593834) is N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc(N)n(-c3ccccn3)n2)cc1.
What is the InChIKey of N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide?
The InChIKey is UHENAIWHWGKWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O/c1-10(23)18-11-5-7-12(8-6-11)19-15-20-14(16)22(21-15)13-4-2-3-9-17-13/h2-9H,1H3,(H,18,23)(H3,16,19,20,21).
What are the key properties of N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide?
N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide has a molecular weight of 309.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 56593834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).