3,5-dihydroimidazo[4,5-d]triazin-4-one

C4H3N5O — CID 135421876

IUPAC3,5-dihydroimidazo[4,5-d]triazin-4-one
SMILESO=c1[nH]nnc2nc[nH]c12
InChIInChI=1S/C4H3N5O/c10-4-2-3(6-1-5-2)7-9-8-4/h1H,(H2,5,6,7,8,10)
InChIKeyBTERLCQQBYXVIN-UHFFFAOYSA-N
MW137.10 g/mol
LogP-0.96
Rot. Bonds

About 3,5-dihydroimidazo[4,5-d]triazin-4-one

3,5-dihydroimidazo[4,5-d]triazin-4-one (PubChem CID 135421876) has the molecular formula C4H3N5O and a molecular weight of 137.10 g/mol. Its IUPAC name is 3,5-dihydroimidazo[4,5-d]triazin-4-one.

Molecular Properties

Compound Name3,5-dihydroimidazo[4,5-d]triazin-4-one
PubChem CID135421876
Molecular FormulaC4H3N5O
Molecular Weight137.10 g/mol
Exact Mass137.03
IUPAC Name3,5-dihydroimidazo[4,5-d]triazin-4-one
SMILESO=c1[nH]nnc2nc[nH]c12
InChIInChI=1S/C4H3N5O/c10-4-2-3(6-1-5-2)7-9-8-4/h1H,(H2,5,6,7,8,10)
InChIKeyBTERLCQQBYXVIN-UHFFFAOYSA-N
XLogP-0.96
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Guanine
CID 135398634
Xanthine
CID 1188
Hypoxanthine
CID 135398638
Dacarbazine
CID 135398738
5-Aminoimidazole-4-carboxamide
CID 9679
6H-Purin-6-one, 2-amino-1,9-dihydro-, hydrochloride (1:1)
CID 135436483
5-(3,3-Dimethyl-1-triazenyl)-1H-imidazole-4-carboxamide
CID 2942
1-Methylguanine
CID 70315
CID 790
CID 790
5-(3-Methyltriazen-1-yl)imidazole-4-carboxamide
CID 76953
N-(6,7-dihydro-6-oxo-1H-purin-2-yl)acetamide
CID 135432176
2-Bromohypoxanthine
CID 135413991

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroimidazo[4,5-d]triazin-4-one?
The IUPAC name of 3,5-dihydroimidazo[4,5-d]triazin-4-one (CID 135421876) is 3,5-dihydroimidazo[4,5-d]triazin-4-one.
What is the SMILES notation for 3,5-dihydroimidazo[4,5-d]triazin-4-one?
The canonical SMILES for 3,5-dihydroimidazo[4,5-d]triazin-4-one is O=c1[nH]nnc2nc[nH]c12.
What is the InChIKey of 3,5-dihydroimidazo[4,5-d]triazin-4-one?
The InChIKey is BTERLCQQBYXVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N5O/c10-4-2-3(6-1-5-2)7-9-8-4/h1H,(H2,5,6,7,8,10).
What are the key properties of 3,5-dihydroimidazo[4,5-d]triazin-4-one?
3,5-dihydroimidazo[4,5-d]triazin-4-one has a molecular weight of 137.10 g/mol, XLogP of -0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroimidazo[4,5-d]triazin-4-one is sourced from PubChem (CID 135421876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).