2-(1,3,5-triazin-2-yl)acetamide

C5H6N4O — CID 23592447

IUPAC2-(1,3,5-triazin-2-yl)acetamide
SMILESNC(=O)Cc1ncncn1
InChIInChI=1S/C5H6N4O/c6-4(10)1-5-8-2-7-3-9-5/h2-3H,1H2,(H2,6,10)
InChIKeyHKXWMKONLHWRSW-UHFFFAOYSA-N
MW138.13 g/mol
LogP-1.10
Rot. Bonds2

About 2-(1,3,5-triazin-2-yl)acetamide

2-(1,3,5-triazin-2-yl)acetamide (PubChem CID 23592447) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is 2-(1,3,5-triazin-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3,5-triazin-2-yl)acetamide
PubChem CID23592447
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Name2-(1,3,5-triazin-2-yl)acetamide
SMILESNC(=O)Cc1ncncn1
InChIInChI=1S/C5H6N4O/c6-4(10)1-5-8-2-7-3-9-5/h2-3H,1H2,(H2,6,10)
InChIKeyHKXWMKONLHWRSW-UHFFFAOYSA-N
XLogP-1.10
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-triazin-2-yl)acetamide?
The IUPAC name of 2-(1,3,5-triazin-2-yl)acetamide (CID 23592447) is 2-(1,3,5-triazin-2-yl)acetamide.
What is the SMILES notation for 2-(1,3,5-triazin-2-yl)acetamide?
The canonical SMILES for 2-(1,3,5-triazin-2-yl)acetamide is NC(=O)Cc1ncncn1.
What is the InChIKey of 2-(1,3,5-triazin-2-yl)acetamide?
The InChIKey is HKXWMKONLHWRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c6-4(10)1-5-8-2-7-3-9-5/h2-3H,1H2,(H2,6,10).
What are the key properties of 2-(1,3,5-triazin-2-yl)acetamide?
2-(1,3,5-triazin-2-yl)acetamide has a molecular weight of 138.13 g/mol, XLogP of -1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-triazin-2-yl)acetamide is sourced from PubChem (CID 23592447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).