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

C7H9N5O — CID 58603113

IUPAC2-amino-8-ethylimidazo[1,2-a][1,3,5]triazin-4-one
SMILESCCn1ccn2c(=O)nc(N)nc12
InChIInChI=1S/C7H9N5O/c1-2-11-3-4-12-6(11)9-5(8)10-7(12)13/h3-4H,2H2,1H3,(H2,8,10,13)
InChIKeyHQSOGWYILBYRGD-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.51
Rot. Bonds1

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

2-amino-8-ethylimidazo[1,2-a][1,3,5]triazin-4-one (PubChem CID 58603113) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-amino-8-ethylimidazo[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-amino-8-ethylimidazo[1,2-a][1,3,5]triazin-4-one
PubChem CID58603113
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name2-amino-8-ethylimidazo[1,2-a][1,3,5]triazin-4-one
SMILESCCn1ccn2c(=O)nc(N)nc12
InChIInChI=1S/C7H9N5O/c1-2-11-3-4-12-6(11)9-5(8)10-7(12)13/h3-4H,2H2,1H3,(H2,8,10,13)
InChIKeyHQSOGWYILBYRGD-UHFFFAOYSA-N
XLogP-0.51
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-ethylimidazo[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-amino-8-ethylimidazo[1,2-a][1,3,5]triazin-4-one (CID 58603113) is 2-amino-8-ethylimidazo[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-amino-8-ethylimidazo[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-amino-8-ethylimidazo[1,2-a][1,3,5]triazin-4-one is CCn1ccn2c(=O)nc(N)nc12.
What is the InChIKey of 2-amino-8-ethylimidazo[1,2-a][1,3,5]triazin-4-one?
The InChIKey is HQSOGWYILBYRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-2-11-3-4-12-6(11)9-5(8)10-7(12)13/h3-4H,2H2,1H3,(H2,8,10,13).
What are the key properties of 2-amino-8-ethylimidazo[1,2-a][1,3,5]triazin-4-one?
2-amino-8-ethylimidazo[1,2-a][1,3,5]triazin-4-one has a molecular weight of 179.18 g/mol, XLogP of -0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-ethylimidazo[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 58603113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).