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

C6H11N5O — CID 59082600

IUPAC4-amino-8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one
SMILESCN1C=CN2C(N)NC(=O)NC12
InChIInChI=1S/C6H11N5O/c1-10-2-3-11-4(7)8-5(12)9-6(10)11/h2-4,6H,7H2,1H3,(H2,8,9,12)
InChIKeyXNUGDGFJHOFMGZ-UHFFFAOYSA-N
MW169.19 g/mol
LogP-1.46
Rot. Bonds

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

4-amino-8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one (PubChem CID 59082600) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 4-amino-8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one.

Molecular Properties

Compound Name4-amino-8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one
PubChem CID59082600
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name4-amino-8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one
SMILESCN1C=CN2C(N)NC(=O)NC12
InChIInChI=1S/C6H11N5O/c1-10-2-3-11-4(7)8-5(12)9-6(10)11/h2-4,6H,7H2,1H3,(H2,8,9,12)
InChIKeyXNUGDGFJHOFMGZ-UHFFFAOYSA-N
XLogP-1.46
TPSA73.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one?
The IUPAC name of 4-amino-8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one (CID 59082600) is 4-amino-8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one.
What is the SMILES notation for 4-amino-8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one?
The canonical SMILES for 4-amino-8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one is CN1C=CN2C(N)NC(=O)NC12.
What is the InChIKey of 4-amino-8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one?
The InChIKey is XNUGDGFJHOFMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-10-2-3-11-4(7)8-5(12)9-6(10)11/h2-4,6H,7H2,1H3,(H2,8,9,12).
What are the key properties of 4-amino-8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one?
4-amino-8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one has a molecular weight of 169.19 g/mol, XLogP of -1.46, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-methyl-1,3,4,8a-tetrahydroimidazo[1,2-a][1,3,5]triazin-2-one is sourced from PubChem (CID 59082600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).