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

C8H9N5O — CID 58603083

IUPAC2-amino-8-prop-2-enylimidazo[1,2-a][1,3,5]triazin-4-one
SMILESC=CCn1ccn2c(=O)nc(N)nc12
InChIInChI=1S/C8H9N5O/c1-2-3-12-4-5-13-7(12)10-6(9)11-8(13)14/h2,4-5H,1,3H2,(H2,9,11,14)
InChIKeyDMDPJHRCLQFJMS-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.34
Rot. Bonds2

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

2-amino-8-prop-2-enylimidazo[1,2-a][1,3,5]triazin-4-one (PubChem CID 58603083) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-amino-8-prop-2-enylimidazo[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-amino-8-prop-2-enylimidazo[1,2-a][1,3,5]triazin-4-one
PubChem CID58603083
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name2-amino-8-prop-2-enylimidazo[1,2-a][1,3,5]triazin-4-one
SMILESC=CCn1ccn2c(=O)nc(N)nc12
InChIInChI=1S/C8H9N5O/c1-2-3-12-4-5-13-7(12)10-6(9)11-8(13)14/h2,4-5H,1,3H2,(H2,9,11,14)
InChIKeyDMDPJHRCLQFJMS-UHFFFAOYSA-N
XLogP-0.34
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-amino-8-prop-2-enylimidazo[1,2-a][1,3,5]triazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-prop-2-enylimidazo[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-amino-8-prop-2-enylimidazo[1,2-a][1,3,5]triazin-4-one (CID 58603083) is 2-amino-8-prop-2-enylimidazo[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-amino-8-prop-2-enylimidazo[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-amino-8-prop-2-enylimidazo[1,2-a][1,3,5]triazin-4-one is C=CCn1ccn2c(=O)nc(N)nc12.
What is the InChIKey of 2-amino-8-prop-2-enylimidazo[1,2-a][1,3,5]triazin-4-one?
The InChIKey is DMDPJHRCLQFJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-2-3-12-4-5-13-7(12)10-6(9)11-8(13)14/h2,4-5H,1,3H2,(H2,9,11,14).
What are the key properties of 2-amino-8-prop-2-enylimidazo[1,2-a][1,3,5]triazin-4-one?
2-amino-8-prop-2-enylimidazo[1,2-a][1,3,5]triazin-4-one has a molecular weight of 191.19 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-prop-2-enylimidazo[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 58603083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).