2-amino-8-propan-2-ylimidazo[1,2-a][1,3,5]triazin-4-one

C8H11N5O — CID 58603063

IUPAC2-amino-8-propan-2-ylimidazo[1,2-a][1,3,5]triazin-4-one
SMILESCC(C)n1ccn2c(=O)nc(N)nc12
InChIInChI=1S/C8H11N5O/c1-5(2)12-3-4-13-7(12)10-6(9)11-8(13)14/h3-5H,1-2H3,(H2,9,11,14)
InChIKeyYODXEVPCPSEFFP-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.05
Rot. Bonds1

About 2-amino-8-propan-2-ylimidazo[1,2-a][1,3,5]triazin-4-one

2-amino-8-propan-2-ylimidazo[1,2-a][1,3,5]triazin-4-one (PubChem CID 58603063) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-amino-8-propan-2-ylimidazo[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-amino-8-propan-2-ylimidazo[1,2-a][1,3,5]triazin-4-one
PubChem CID58603063
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-amino-8-propan-2-ylimidazo[1,2-a][1,3,5]triazin-4-one
SMILESCC(C)n1ccn2c(=O)nc(N)nc12
InChIInChI=1S/C8H11N5O/c1-5(2)12-3-4-13-7(12)10-6(9)11-8(13)14/h3-5H,1-2H3,(H2,9,11,14)
InChIKeyYODXEVPCPSEFFP-UHFFFAOYSA-N
XLogP0.05
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-propan-2-ylimidazo[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-amino-8-propan-2-ylimidazo[1,2-a][1,3,5]triazin-4-one (CID 58603063) is 2-amino-8-propan-2-ylimidazo[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-amino-8-propan-2-ylimidazo[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-amino-8-propan-2-ylimidazo[1,2-a][1,3,5]triazin-4-one is CC(C)n1ccn2c(=O)nc(N)nc12.
What is the InChIKey of 2-amino-8-propan-2-ylimidazo[1,2-a][1,3,5]triazin-4-one?
The InChIKey is YODXEVPCPSEFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5(2)12-3-4-13-7(12)10-6(9)11-8(13)14/h3-5H,1-2H3,(H2,9,11,14).
What are the key properties of 2-amino-8-propan-2-ylimidazo[1,2-a][1,3,5]triazin-4-one?
2-amino-8-propan-2-ylimidazo[1,2-a][1,3,5]triazin-4-one has a molecular weight of 193.21 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-propan-2-ylimidazo[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 58603063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).