2,3,4a,5,6,7-hexahydro-1H-imidazo[2,1-f][1,2,4]triazin-4-one

C5H10N4O — CID 131304667

IUPAC2,3,4a,5,6,7-hexahydro-1H-imidazo[2,1-f][1,2,4]triazin-4-one
SMILESO=C1NCNN2CCNC12
InChIInChI=1S/C5H10N4O/c10-5-4-6-1-2-9(4)8-3-7-5/h4,6,8H,1-3H2,(H,7,10)
InChIKeyNRZYMMBOMFZLQL-UHFFFAOYSA-N
MW142.16 g/mol
LogP-2.19
Rot. Bonds

About 2,3,4a,5,6,7-hexahydro-1H-imidazo[2,1-f][1,2,4]triazin-4-one

2,3,4a,5,6,7-hexahydro-1H-imidazo[2,1-f][1,2,4]triazin-4-one (PubChem CID 131304667) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 2,3,4a,5,6,7-hexahydro-1H-imidazo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2,3,4a,5,6,7-hexahydro-1H-imidazo[2,1-f][1,2,4]triazin-4-one
PubChem CID131304667
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name2,3,4a,5,6,7-hexahydro-1H-imidazo[2,1-f][1,2,4]triazin-4-one
SMILESO=C1NCNN2CCNC12
InChIInChI=1S/C5H10N4O/c10-5-4-6-1-2-9(4)8-3-7-5/h4,6,8H,1-3H2,(H,7,10)
InChIKeyNRZYMMBOMFZLQL-UHFFFAOYSA-N
XLogP-2.19
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-2.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,4a,5,6,7-hexahydro-1H-imidazo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2,3,4a,5,6,7-hexahydro-1H-imidazo[2,1-f][1,2,4]triazin-4-one (CID 131304667) is 2,3,4a,5,6,7-hexahydro-1H-imidazo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2,3,4a,5,6,7-hexahydro-1H-imidazo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2,3,4a,5,6,7-hexahydro-1H-imidazo[2,1-f][1,2,4]triazin-4-one is O=C1NCNN2CCNC12.
What is the InChIKey of 2,3,4a,5,6,7-hexahydro-1H-imidazo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is NRZYMMBOMFZLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c10-5-4-6-1-2-9(4)8-3-7-5/h4,6,8H,1-3H2,(H,7,10).
What are the key properties of 2,3,4a,5,6,7-hexahydro-1H-imidazo[2,1-f][1,2,4]triazin-4-one?
2,3,4a,5,6,7-hexahydro-1H-imidazo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 142.16 g/mol, XLogP of -2.19, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4a,5,6,7-hexahydro-1H-imidazo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 131304667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).