1-[3-(furan-2-yl)phenyl]-5-methyl-1,2,4-triazinan-3-one

C14H15N3O2 — CID 10729840

IUPAC1-[3-(furan-2-yl)phenyl]-5-methyl-1,2,4-triazinan-3-one
SMILESCC1CN(c2cccc(-c3ccco3)c2)NC(=O)N1
InChIInChI=1S/C14H15N3O2/c1-10-9-17(16-14(18)15-10)12-5-2-4-11(8-12)13-6-3-7-19-13/h2-8,10H,9H2,1H3,(H2,15,16,18)
InChIKeyRTUZBQMSFHNYES-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.37
Rot. Bonds2

About 1-[3-(furan-2-yl)phenyl]-5-methyl-1,2,4-triazinan-3-one

1-[3-(furan-2-yl)phenyl]-5-methyl-1,2,4-triazinan-3-one (PubChem CID 10729840) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)phenyl]-5-methyl-1,2,4-triazinan-3-one.

Molecular Properties

Compound Name1-[3-(furan-2-yl)phenyl]-5-methyl-1,2,4-triazinan-3-one
PubChem CID10729840
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-[3-(furan-2-yl)phenyl]-5-methyl-1,2,4-triazinan-3-one
SMILESCC1CN(c2cccc(-c3ccco3)c2)NC(=O)N1
InChIInChI=1S/C14H15N3O2/c1-10-9-17(16-14(18)15-10)12-5-2-4-11(8-12)13-6-3-7-19-13/h2-8,10H,9H2,1H3,(H2,15,16,18)
InChIKeyRTUZBQMSFHNYES-UHFFFAOYSA-N
XLogP2.37
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)phenyl]-5-methyl-1,2,4-triazinan-3-one?
The IUPAC name of 1-[3-(furan-2-yl)phenyl]-5-methyl-1,2,4-triazinan-3-one (CID 10729840) is 1-[3-(furan-2-yl)phenyl]-5-methyl-1,2,4-triazinan-3-one.
What is the SMILES notation for 1-[3-(furan-2-yl)phenyl]-5-methyl-1,2,4-triazinan-3-one?
The canonical SMILES for 1-[3-(furan-2-yl)phenyl]-5-methyl-1,2,4-triazinan-3-one is CC1CN(c2cccc(-c3ccco3)c2)NC(=O)N1.
What is the InChIKey of 1-[3-(furan-2-yl)phenyl]-5-methyl-1,2,4-triazinan-3-one?
The InChIKey is RTUZBQMSFHNYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-9-17(16-14(18)15-10)12-5-2-4-11(8-12)13-6-3-7-19-13/h2-8,10H,9H2,1H3,(H2,15,16,18).
What are the key properties of 1-[3-(furan-2-yl)phenyl]-5-methyl-1,2,4-triazinan-3-one?
1-[3-(furan-2-yl)phenyl]-5-methyl-1,2,4-triazinan-3-one has a molecular weight of 257.29 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)phenyl]-5-methyl-1,2,4-triazinan-3-one is sourced from PubChem (CID 10729840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).