3-(2-amino-4-oxoimidazo[1,2-a][1,3,5]triazin-8-yl)propanamide

C8H10N6O2 — CID 58603068

IUPAC3-(2-amino-4-oxoimidazo[1,2-a][1,3,5]triazin-8-yl)propanamide
SMILESNC(=O)CCn1ccn2c(=O)nc(N)nc12
InChIInChI=1S/C8H10N6O2/c9-5(15)1-2-13-3-4-14-7(13)11-6(10)12-8(14)16/h3-4H,1-2H2,(H2,9,15)(H2,10,12,16)
InChIKeyQDAXQLKPKDWEMD-UHFFFAOYSA-N
MW222.21 g/mol
LogP-1.65
Rot. Bonds3

About 3-(2-amino-4-oxoimidazo[1,2-a][1,3,5]triazin-8-yl)propanamide

3-(2-amino-4-oxoimidazo[1,2-a][1,3,5]triazin-8-yl)propanamide (PubChem CID 58603068) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 3-(2-amino-4-oxoimidazo[1,2-a][1,3,5]triazin-8-yl)propanamide.

Molecular Properties

Compound Name3-(2-amino-4-oxoimidazo[1,2-a][1,3,5]triazin-8-yl)propanamide
PubChem CID58603068
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name3-(2-amino-4-oxoimidazo[1,2-a][1,3,5]triazin-8-yl)propanamide
SMILESNC(=O)CCn1ccn2c(=O)nc(N)nc12
InChIInChI=1S/C8H10N6O2/c9-5(15)1-2-13-3-4-14-7(13)11-6(10)12-8(14)16/h3-4H,1-2H2,(H2,9,15)(H2,10,12,16)
InChIKeyQDAXQLKPKDWEMD-UHFFFAOYSA-N
XLogP-1.65
TPSA121.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-oxoimidazo[1,2-a][1,3,5]triazin-8-yl)propanamide?
The IUPAC name of 3-(2-amino-4-oxoimidazo[1,2-a][1,3,5]triazin-8-yl)propanamide (CID 58603068) is 3-(2-amino-4-oxoimidazo[1,2-a][1,3,5]triazin-8-yl)propanamide.
What is the SMILES notation for 3-(2-amino-4-oxoimidazo[1,2-a][1,3,5]triazin-8-yl)propanamide?
The canonical SMILES for 3-(2-amino-4-oxoimidazo[1,2-a][1,3,5]triazin-8-yl)propanamide is NC(=O)CCn1ccn2c(=O)nc(N)nc12.
What is the InChIKey of 3-(2-amino-4-oxoimidazo[1,2-a][1,3,5]triazin-8-yl)propanamide?
The InChIKey is QDAXQLKPKDWEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2/c9-5(15)1-2-13-3-4-14-7(13)11-6(10)12-8(14)16/h3-4H,1-2H2,(H2,9,15)(H2,10,12,16).
What are the key properties of 3-(2-amino-4-oxoimidazo[1,2-a][1,3,5]triazin-8-yl)propanamide?
3-(2-amino-4-oxoimidazo[1,2-a][1,3,5]triazin-8-yl)propanamide has a molecular weight of 222.21 g/mol, XLogP of -1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-oxoimidazo[1,2-a][1,3,5]triazin-8-yl)propanamide is sourced from PubChem (CID 58603068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).