2-amino-3H-imidazo[1,2-a][1,3,5]triazin-4-one

C5H5N5O — CID 135600909

IUPAC2-amino-3H-imidazo[1,2-a][1,3,5]triazin-4-one
SMILESNc1nc2nccn2c(=O)[nH]1
InChIInChI=1S/C5H5N5O/c6-3-8-4-7-1-2-10(4)5(11)9-3/h1-2H,(H3,6,7,8,9,11)
InChIKeyKSTJOICDZAFYTD-UHFFFAOYSA-N
MW151.13 g/mol
LogP-1.00
Rot. Bonds

About 2-amino-3H-imidazo[1,2-a][1,3,5]triazin-4-one

2-amino-3H-imidazo[1,2-a][1,3,5]triazin-4-one (PubChem CID 135600909) has the molecular formula C5H5N5O and a molecular weight of 151.13 g/mol. Its IUPAC name is 2-amino-3H-imidazo[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-amino-3H-imidazo[1,2-a][1,3,5]triazin-4-one
PubChem CID135600909
Molecular FormulaC5H5N5O
Molecular Weight151.13 g/mol
Exact Mass151.05
IUPAC Name2-amino-3H-imidazo[1,2-a][1,3,5]triazin-4-one
SMILESNc1nc2nccn2c(=O)[nH]1
InChIInChI=1S/C5H5N5O/c6-3-8-4-7-1-2-10(4)5(11)9-3/h1-2H,(H3,6,7,8,9,11)
InChIKeyKSTJOICDZAFYTD-UHFFFAOYSA-N
XLogP-1.00
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3H-imidazo[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-amino-3H-imidazo[1,2-a][1,3,5]triazin-4-one (CID 135600909) is 2-amino-3H-imidazo[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-amino-3H-imidazo[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-amino-3H-imidazo[1,2-a][1,3,5]triazin-4-one is Nc1nc2nccn2c(=O)[nH]1.
What is the InChIKey of 2-amino-3H-imidazo[1,2-a][1,3,5]triazin-4-one?
The InChIKey is KSTJOICDZAFYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O/c6-3-8-4-7-1-2-10(4)5(11)9-3/h1-2H,(H3,6,7,8,9,11).
What are the key properties of 2-amino-3H-imidazo[1,2-a][1,3,5]triazin-4-one?
2-amino-3H-imidazo[1,2-a][1,3,5]triazin-4-one has a molecular weight of 151.13 g/mol, XLogP of -1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3H-imidazo[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 135600909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).