2-amino-8-(methoxymethyl)imidazo[1,2-a][1,3,5]triazin-4-one

C7H9N5O2 — CID 58603078

IUPAC2-amino-8-(methoxymethyl)imidazo[1,2-a][1,3,5]triazin-4-one
SMILESCOCn1ccn2c(=O)nc(N)nc12
InChIInChI=1S/C7H9N5O2/c1-14-4-11-2-3-12-6(11)9-5(8)10-7(12)13/h2-3H,4H2,1H3,(H2,8,10,13)
InChIKeyOTXSRDVKHHRQHK-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.92
Rot. Bonds2

About 2-amino-8-(methoxymethyl)imidazo[1,2-a][1,3,5]triazin-4-one

2-amino-8-(methoxymethyl)imidazo[1,2-a][1,3,5]triazin-4-one (PubChem CID 58603078) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-amino-8-(methoxymethyl)imidazo[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-amino-8-(methoxymethyl)imidazo[1,2-a][1,3,5]triazin-4-one
PubChem CID58603078
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name2-amino-8-(methoxymethyl)imidazo[1,2-a][1,3,5]triazin-4-one
SMILESCOCn1ccn2c(=O)nc(N)nc12
InChIInChI=1S/C7H9N5O2/c1-14-4-11-2-3-12-6(11)9-5(8)10-7(12)13/h2-3H,4H2,1H3,(H2,8,10,13)
InChIKeyOTXSRDVKHHRQHK-UHFFFAOYSA-N
XLogP-0.92
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(methoxymethyl)imidazo[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-amino-8-(methoxymethyl)imidazo[1,2-a][1,3,5]triazin-4-one (CID 58603078) is 2-amino-8-(methoxymethyl)imidazo[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-amino-8-(methoxymethyl)imidazo[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-amino-8-(methoxymethyl)imidazo[1,2-a][1,3,5]triazin-4-one is COCn1ccn2c(=O)nc(N)nc12.
What is the InChIKey of 2-amino-8-(methoxymethyl)imidazo[1,2-a][1,3,5]triazin-4-one?
The InChIKey is OTXSRDVKHHRQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c1-14-4-11-2-3-12-6(11)9-5(8)10-7(12)13/h2-3H,4H2,1H3,(H2,8,10,13).
What are the key properties of 2-amino-8-(methoxymethyl)imidazo[1,2-a][1,3,5]triazin-4-one?
2-amino-8-(methoxymethyl)imidazo[1,2-a][1,3,5]triazin-4-one has a molecular weight of 195.18 g/mol, XLogP of -0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(methoxymethyl)imidazo[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 58603078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).