5H-imidazo[4,5-d]triazine

C4H3N5 — CID 22386380

IUPAC5H-imidazo[4,5-d]triazine
SMILESc1nc2nnncc2[nH]1
InChIInChI=1S/C4H3N5/c1-3-4(6-2-5-3)8-9-7-1/h1-2H,(H,5,6,7,8)
InChIKeyXZLIYCQRASOFQM-UHFFFAOYSA-N
MW121.10 g/mol
LogP-0.25
Rot. Bonds

About 5H-imidazo[4,5-d]triazine

5H-imidazo[4,5-d]triazine (PubChem CID 22386380) has the molecular formula C4H3N5 and a molecular weight of 121.10 g/mol. Its IUPAC name is 5H-imidazo[4,5-d]triazine.

Molecular Properties

Compound Name5H-imidazo[4,5-d]triazine
PubChem CID22386380
Molecular FormulaC4H3N5
Molecular Weight121.10 g/mol
Exact Mass121.04
IUPAC Name5H-imidazo[4,5-d]triazine
SMILESc1nc2nnncc2[nH]1
InChIInChI=1S/C4H3N5/c1-3-4(6-2-5-3)8-9-7-1/h1-2H,(H,5,6,7,8)
InChIKeyXZLIYCQRASOFQM-UHFFFAOYSA-N
XLogP-0.25
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.10
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Aminopurine
CID 9955
Purine
CID 1044
8-(Methylthio)purine
CID 95217
2-chloro-7H-purine
CID 519314
N6-Ethenoadenine
CID 104994
Triazolopyrimidine
CID 64962
2-Aminopurine nitrate
CID 160416
4,7-Diaza-1H-indazole
CID 12913751
1-methyl-1H-pyrazolo(3,4-b)pyrazine
CID 59421494
Dimethylaminopurine
CID 4312426
6-N-butyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
CID 162645290
2-Azaadenine
CID 5480214

Frequently Asked Questions

What is the IUPAC name of 5H-imidazo[4,5-d]triazine?
The IUPAC name of 5H-imidazo[4,5-d]triazine (CID 22386380) is 5H-imidazo[4,5-d]triazine.
What is the SMILES notation for 5H-imidazo[4,5-d]triazine?
The canonical SMILES for 5H-imidazo[4,5-d]triazine is c1nc2nnncc2[nH]1.
What is the InChIKey of 5H-imidazo[4,5-d]triazine?
The InChIKey is XZLIYCQRASOFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N5/c1-3-4(6-2-5-3)8-9-7-1/h1-2H,(H,5,6,7,8).
What are the key properties of 5H-imidazo[4,5-d]triazine?
5H-imidazo[4,5-d]triazine has a molecular weight of 121.10 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-imidazo[4,5-d]triazine is sourced from PubChem (CID 22386380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).