3-(furan-3-yl)-2,5-dihydro-1H-1,2,4-triazin-6-one

C7H7N3O2 — CID 71411411

IUPAC3-(furan-3-yl)-2,5-dihydro-1H-1,2,4-triazin-6-one
SMILESO=C1CN=C(c2ccoc2)NN1
InChIInChI=1S/C7H7N3O2/c11-6-3-8-7(10-9-6)5-1-2-12-4-5/h1-2,4H,3H2,(H,8,10)(H,9,11)
InChIKeyHEDUTMIGJMBYPB-UHFFFAOYSA-N
MW165.15 g/mol
LogP-0.34
Rot. Bonds1

About 3-(furan-3-yl)-2,5-dihydro-1H-1,2,4-triazin-6-one

3-(furan-3-yl)-2,5-dihydro-1H-1,2,4-triazin-6-one (PubChem CID 71411411) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 3-(furan-3-yl)-2,5-dihydro-1H-1,2,4-triazin-6-one.

Molecular Properties

Compound Name3-(furan-3-yl)-2,5-dihydro-1H-1,2,4-triazin-6-one
PubChem CID71411411
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name3-(furan-3-yl)-2,5-dihydro-1H-1,2,4-triazin-6-one
SMILESO=C1CN=C(c2ccoc2)NN1
InChIInChI=1S/C7H7N3O2/c11-6-3-8-7(10-9-6)5-1-2-12-4-5/h1-2,4H,3H2,(H,8,10)(H,9,11)
InChIKeyHEDUTMIGJMBYPB-UHFFFAOYSA-N
XLogP-0.34
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-2,5-dihydro-1H-1,2,4-triazin-6-one?
The IUPAC name of 3-(furan-3-yl)-2,5-dihydro-1H-1,2,4-triazin-6-one (CID 71411411) is 3-(furan-3-yl)-2,5-dihydro-1H-1,2,4-triazin-6-one.
What is the SMILES notation for 3-(furan-3-yl)-2,5-dihydro-1H-1,2,4-triazin-6-one?
The canonical SMILES for 3-(furan-3-yl)-2,5-dihydro-1H-1,2,4-triazin-6-one is O=C1CN=C(c2ccoc2)NN1.
What is the InChIKey of 3-(furan-3-yl)-2,5-dihydro-1H-1,2,4-triazin-6-one?
The InChIKey is HEDUTMIGJMBYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c11-6-3-8-7(10-9-6)5-1-2-12-4-5/h1-2,4H,3H2,(H,8,10)(H,9,11).
What are the key properties of 3-(furan-3-yl)-2,5-dihydro-1H-1,2,4-triazin-6-one?
3-(furan-3-yl)-2,5-dihydro-1H-1,2,4-triazin-6-one has a molecular weight of 165.15 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-2,5-dihydro-1H-1,2,4-triazin-6-one is sourced from PubChem (CID 71411411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).