2-(8-oxopyrimido[1,2-b][1,2,4]triazin-7-yl)acetamide

C8H7N5O2 — CID 139979795

IUPAC2-(8-oxopyrimido[1,2-b][1,2,4]triazin-7-yl)acetamide
SMILESNC(=O)Cc1cnc2nccnn2c1=O
InChIInChI=1S/C8H7N5O2/c9-6(14)3-5-4-11-8-10-1-2-12-13(8)7(5)15/h1-2,4H,3H2,(H2,9,14)
InChIKeyUNIXBOXUPRZQEG-UHFFFAOYSA-N
MW205.18 g/mol
LogP-1.49
Rot. Bonds2

About 2-(8-oxopyrimido[1,2-b][1,2,4]triazin-7-yl)acetamide

2-(8-oxopyrimido[1,2-b][1,2,4]triazin-7-yl)acetamide (PubChem CID 139979795) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-(8-oxopyrimido[1,2-b][1,2,4]triazin-7-yl)acetamide.

Molecular Properties

Compound Name2-(8-oxopyrimido[1,2-b][1,2,4]triazin-7-yl)acetamide
PubChem CID139979795
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name2-(8-oxopyrimido[1,2-b][1,2,4]triazin-7-yl)acetamide
SMILESNC(=O)Cc1cnc2nccnn2c1=O
InChIInChI=1S/C8H7N5O2/c9-6(14)3-5-4-11-8-10-1-2-12-13(8)7(5)15/h1-2,4H,3H2,(H2,9,14)
InChIKeyUNIXBOXUPRZQEG-UHFFFAOYSA-N
XLogP-1.49
TPSA103.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(8-oxopyrimido[1,2-b][1,2,4]triazin-7-yl)acetamide?
The IUPAC name of 2-(8-oxopyrimido[1,2-b][1,2,4]triazin-7-yl)acetamide (CID 139979795) is 2-(8-oxopyrimido[1,2-b][1,2,4]triazin-7-yl)acetamide.
What is the SMILES notation for 2-(8-oxopyrimido[1,2-b][1,2,4]triazin-7-yl)acetamide?
The canonical SMILES for 2-(8-oxopyrimido[1,2-b][1,2,4]triazin-7-yl)acetamide is NC(=O)Cc1cnc2nccnn2c1=O.
What is the InChIKey of 2-(8-oxopyrimido[1,2-b][1,2,4]triazin-7-yl)acetamide?
The InChIKey is UNIXBOXUPRZQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c9-6(14)3-5-4-11-8-10-1-2-12-13(8)7(5)15/h1-2,4H,3H2,(H2,9,14).
What are the key properties of 2-(8-oxopyrimido[1,2-b][1,2,4]triazin-7-yl)acetamide?
2-(8-oxopyrimido[1,2-b][1,2,4]triazin-7-yl)acetamide has a molecular weight of 205.18 g/mol, XLogP of -1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxopyrimido[1,2-b][1,2,4]triazin-7-yl)acetamide is sourced from PubChem (CID 139979795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).