2,3,6,7-tetrahydro-1H-imidazo[2,1-c][1,2,4]triazin-4-one

C5H8N4O — CID 154124885

IUPAC2,3,6,7-tetrahydro-1H-imidazo[2,1-c][1,2,4]triazin-4-one
SMILESO=C1CNNC2=NCCN12
InChIInChI=1S/C5H8N4O/c10-4-3-7-8-5-6-1-2-9(4)5/h7H,1-3H2,(H,6,8)
InChIKeyFGRBZQIABWTXOQ-UHFFFAOYSA-N
MW140.15 g/mol
LogP-1.71
Rot. Bonds

About 2,3,6,7-tetrahydro-1H-imidazo[2,1-c][1,2,4]triazin-4-one

2,3,6,7-tetrahydro-1H-imidazo[2,1-c][1,2,4]triazin-4-one (PubChem CID 154124885) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 2,3,6,7-tetrahydro-1H-imidazo[2,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2,3,6,7-tetrahydro-1H-imidazo[2,1-c][1,2,4]triazin-4-one
PubChem CID154124885
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name2,3,6,7-tetrahydro-1H-imidazo[2,1-c][1,2,4]triazin-4-one
SMILESO=C1CNNC2=NCCN12
InChIInChI=1S/C5H8N4O/c10-4-3-7-8-5-6-1-2-9(4)5/h7H,1-3H2,(H,6,8)
InChIKeyFGRBZQIABWTXOQ-UHFFFAOYSA-N
XLogP-1.71
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexylidene-2,6,7,8-tetrahydro-1H-pyrimido[2,1-c][1,2,4]triazin-4-one
CID 117062361
8-methyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyrimidin-5-one;hydroiodide
CID 13492731
3a,4,6,7,8,10a-hexahydro-1H-pyrimido[1,2-a]purin-10-one
CID 101239641
2,5-dihydro-1H-imidazo[1,2-a]quinoxalin-4-one
CID 105442499
1-pyrimidin-5-yl-1,4-diazepane-2,5-dione
CID 107590246
7-chloro-5-methylidene-3,10-dihydro-2H-imidazo[2,1-b]quinazoline
CID 11172030
1,2,4,5-tetrahydroimidazo[1,2-a]quinoxalin-7-ol
CID 115017791
1-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)-4,5-dihydroimidazole
CID 138649427
6,7-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
CID 71368277
1-(1-ethylpyrazol-4-yl)piperazine-2,5-dione
CID 64955046
1-(6-iodo-3-pyridinyl)-1,4-diazepan-2-one
CID 134405874
5-methyl-7,8-dihydro-3H-imidazo[2,1-b]purin-4-one
CID 10058372

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrahydro-1H-imidazo[2,1-c][1,2,4]triazin-4-one?
The IUPAC name of 2,3,6,7-tetrahydro-1H-imidazo[2,1-c][1,2,4]triazin-4-one (CID 154124885) is 2,3,6,7-tetrahydro-1H-imidazo[2,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 2,3,6,7-tetrahydro-1H-imidazo[2,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 2,3,6,7-tetrahydro-1H-imidazo[2,1-c][1,2,4]triazin-4-one is O=C1CNNC2=NCCN12.
What is the InChIKey of 2,3,6,7-tetrahydro-1H-imidazo[2,1-c][1,2,4]triazin-4-one?
The InChIKey is FGRBZQIABWTXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c10-4-3-7-8-5-6-1-2-9(4)5/h7H,1-3H2,(H,6,8).
What are the key properties of 2,3,6,7-tetrahydro-1H-imidazo[2,1-c][1,2,4]triazin-4-one?
2,3,6,7-tetrahydro-1H-imidazo[2,1-c][1,2,4]triazin-4-one has a molecular weight of 140.15 g/mol, XLogP of -1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrahydro-1H-imidazo[2,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 154124885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).