N-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide

C9H12N6O3 — CID 21856

IUPACN-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide
SMILESCC(=O)Nc1nc(NC(C)=O)nc(NC(C)=O)n1
InChIInChI=1S/C9H12N6O3/c1-4(16)10-7-13-8(11-5(2)17)15-9(14-7)12-6(3)18/h1-3H3,(H3,10,11,12,13,14,15,16,17,18)
InChIKeyZZUIZULDVRLXNB-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.25
Rot. Bonds3

About N-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide

N-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide (PubChem CID 21856) has the molecular formula C9H12N6O3 and a molecular weight of 252.23 g/mol. Its IUPAC name is N-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide
PubChem CID21856
Molecular FormulaC9H12N6O3
Molecular Weight252.23 g/mol
Exact Mass252.10
IUPAC NameN-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide
SMILESCC(=O)Nc1nc(NC(C)=O)nc(NC(C)=O)n1
InChIInChI=1S/C9H12N6O3/c1-4(16)10-7-13-8(11-5(2)17)15-9(14-7)12-6(3)18/h1-3H3,(H3,10,11,12,13,14,15,16,17,18)
InChIKeyZZUIZULDVRLXNB-UHFFFAOYSA-N
XLogP-0.25
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide?
The IUPAC name of N-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide (CID 21856) is N-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide.
What is the SMILES notation for N-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide?
The canonical SMILES for N-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide is CC(=O)Nc1nc(NC(C)=O)nc(NC(C)=O)n1.
What is the InChIKey of N-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide?
The InChIKey is ZZUIZULDVRLXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O3/c1-4(16)10-7-13-8(11-5(2)17)15-9(14-7)12-6(3)18/h1-3H3,(H3,10,11,12,13,14,15,16,17,18).
What are the key properties of N-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide?
N-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide has a molecular weight of 252.23 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide is sourced from PubChem (CID 21856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).