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

C6H7N5O — CID 20768405

IUPAC2-amino-8-methylimidazo[1,2-a][1,3,5]triazin-4-one
SMILESCn1ccn2c(=O)nc(N)nc12
InChIInChI=1S/C6H7N5O/c1-10-2-3-11-5(10)8-4(7)9-6(11)12/h2-3H,1H3,(H2,7,9,12)
InChIKeyFJSXABTUKCOIGG-UHFFFAOYSA-N
MW165.16 g/mol
LogP-0.99
Rot. Bonds

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

2-amino-8-methylimidazo[1,2-a][1,3,5]triazin-4-one (PubChem CID 20768405) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 2-amino-8-methylimidazo[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-amino-8-methylimidazo[1,2-a][1,3,5]triazin-4-one
PubChem CID20768405
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name2-amino-8-methylimidazo[1,2-a][1,3,5]triazin-4-one
SMILESCn1ccn2c(=O)nc(N)nc12
InChIInChI=1S/C6H7N5O/c1-10-2-3-11-5(10)8-4(7)9-6(11)12/h2-3H,1H3,(H2,7,9,12)
InChIKeyFJSXABTUKCOIGG-UHFFFAOYSA-N
XLogP-0.99
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methylimidazo[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-amino-8-methylimidazo[1,2-a][1,3,5]triazin-4-one (CID 20768405) is 2-amino-8-methylimidazo[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-amino-8-methylimidazo[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-amino-8-methylimidazo[1,2-a][1,3,5]triazin-4-one is Cn1ccn2c(=O)nc(N)nc12.
What is the InChIKey of 2-amino-8-methylimidazo[1,2-a][1,3,5]triazin-4-one?
The InChIKey is FJSXABTUKCOIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-10-2-3-11-5(10)8-4(7)9-6(11)12/h2-3H,1H3,(H2,7,9,12).
What are the key properties of 2-amino-8-methylimidazo[1,2-a][1,3,5]triazin-4-one?
2-amino-8-methylimidazo[1,2-a][1,3,5]triazin-4-one has a molecular weight of 165.16 g/mol, XLogP of -0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methylimidazo[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 20768405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).