3H-imidazo[2,1-f][1,2,4]triazin-4-one

C5H4N4O — CID 135742494

IUPAC3H-imidazo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1[nH]cnn2ccnc12
InChIInChI=1S/C5H4N4O/c10-5-4-6-1-2-9(4)8-3-7-5/h1-3H,(H,7,8,10)
InChIKeyQMFPURRPZZSJPF-UHFFFAOYSA-N
MW136.11 g/mol
LogP-0.58
Rot. Bonds

About 3H-imidazo[2,1-f][1,2,4]triazin-4-one

3H-imidazo[2,1-f][1,2,4]triazin-4-one (PubChem CID 135742494) has the molecular formula C5H4N4O and a molecular weight of 136.11 g/mol. Its IUPAC name is 3H-imidazo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3H-imidazo[2,1-f][1,2,4]triazin-4-one
PubChem CID135742494
Molecular FormulaC5H4N4O
Molecular Weight136.11 g/mol
Exact Mass136.04
IUPAC Name3H-imidazo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1[nH]cnn2ccnc12
InChIInChI=1S/C5H4N4O/c10-5-4-6-1-2-9(4)8-3-7-5/h1-3H,(H,7,8,10)
InChIKeyQMFPURRPZZSJPF-UHFFFAOYSA-N
XLogP-0.58
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3H-imidazo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 3H-imidazo[2,1-f][1,2,4]triazin-4-one (CID 135742494) is 3H-imidazo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 3H-imidazo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 3H-imidazo[2,1-f][1,2,4]triazin-4-one is O=c1[nH]cnn2ccnc12.
What is the InChIKey of 3H-imidazo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is QMFPURRPZZSJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O/c10-5-4-6-1-2-9(4)8-3-7-5/h1-3H,(H,7,8,10).
What are the key properties of 3H-imidazo[2,1-f][1,2,4]triazin-4-one?
3H-imidazo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 136.11 g/mol, XLogP of -0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-imidazo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135742494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).