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

C11H12N6O — CID 53363027

IUPACN-[3-[(4-amino-1,3,5-triazin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N)n2)c1
InChIInChI=1S/C11H12N6O/c1-7(18)15-8-3-2-4-9(5-8)16-11-14-6-13-10(12)17-11/h2-6H,1H3,(H,15,18)(H3,12,13,14,16,17)
InChIKeyOKZWSYZQMUGXGB-UHFFFAOYSA-N
MW244.26 g/mol
LogP1.16
Rot. Bonds3

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

N-[3-[(4-amino-1,3,5-triazin-2-yl)amino]phenyl]acetamide (PubChem CID 53363027) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is N-[3-[(4-amino-1,3,5-triazin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-amino-1,3,5-triazin-2-yl)amino]phenyl]acetamide
PubChem CID53363027
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC NameN-[3-[(4-amino-1,3,5-triazin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N)n2)c1
InChIInChI=1S/C11H12N6O/c1-7(18)15-8-3-2-4-9(5-8)16-11-14-6-13-10(12)17-11/h2-6H,1H3,(H,15,18)(H3,12,13,14,16,17)
InChIKeyOKZWSYZQMUGXGB-UHFFFAOYSA-N
XLogP1.16
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-amino-1,3,5-triazin-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-amino-1,3,5-triazin-2-yl)amino]phenyl]acetamide (CID 53363027) is N-[3-[(4-amino-1,3,5-triazin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-amino-1,3,5-triazin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-amino-1,3,5-triazin-2-yl)amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N)n2)c1.
What is the InChIKey of N-[3-[(4-amino-1,3,5-triazin-2-yl)amino]phenyl]acetamide?
The InChIKey is OKZWSYZQMUGXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c1-7(18)15-8-3-2-4-9(5-8)16-11-14-6-13-10(12)17-11/h2-6H,1H3,(H,15,18)(H3,12,13,14,16,17).
What are the key properties of N-[3-[(4-amino-1,3,5-triazin-2-yl)amino]phenyl]acetamide?
N-[3-[(4-amino-1,3,5-triazin-2-yl)amino]phenyl]acetamide has a molecular weight of 244.26 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-amino-1,3,5-triazin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 53363027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).