3-(3,4-difluoroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one

C14H10F2N4O2 — CID 136779265

IUPAC3-(3,4-difluoroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(Nc2ccc(F)c(F)c2)nnc1Cc1ccco1
InChIInChI=1S/C14H10F2N4O2/c15-10-4-3-8(6-11(10)16)17-14-18-13(21)12(19-20-14)7-9-2-1-5-22-9/h1-6H,7H2,(H2,17,18,20,21)
InChIKeyGBOQBUBCFZIIAI-UHFFFAOYSA-N
MW304.26 g/mol
LogP2.37
Rot. Bonds4

About 3-(3,4-difluoroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one

3-(3,4-difluoroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one (PubChem CID 136779265) has the molecular formula C14H10F2N4O2 and a molecular weight of 304.26 g/mol. Its IUPAC name is 3-(3,4-difluoroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(3,4-difluoroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
PubChem CID136779265
Molecular FormulaC14H10F2N4O2
Molecular Weight304.26 g/mol
Exact Mass304.08
IUPAC Name3-(3,4-difluoroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(Nc2ccc(F)c(F)c2)nnc1Cc1ccco1
InChIInChI=1S/C14H10F2N4O2/c15-10-4-3-8(6-11(10)16)17-14-18-13(21)12(19-20-14)7-9-2-1-5-22-9/h1-6H,7H2,(H2,17,18,20,21)
InChIKeyGBOQBUBCFZIIAI-UHFFFAOYSA-N
XLogP2.37
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-difluoroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136779320
3-[4-(dimethylamino)anilino]-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136778903
6-(furan-2-ylmethyl)-3-(2,4,6-trimethylanilino)-4H-1,2,4-triazin-5-one
CID 135681439
3-(2-chloroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 135582129
3-(2-ethylanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 135721958
3-[2-(4-fluorophenyl)ethylamino]-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136780331
6-(furan-2-ylmethyl)-3-(propylamino)-4H-1,2,4-triazin-5-one
CID 136779754
6-(furan-2-ylmethyl)-3-[4-(4-propylpiperazin-1-yl)anilino]-4H-1,2,4-triazin-5-one
CID 136779463
3-(cyclooctylamino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136683781
6-(furan-2-ylmethyl)-3-methyl-4H-1,2,4-triazin-5-one
CID 165345963
3-(3-chloro-4-methylanilino)-6-[(4-fluorophenyl)methyl]-4H-1,2,4-triazin-5-one
CID 135561047
6-benzyl-3-(furan-2-ylmethylamino)-4H-1,2,4-triazin-5-one
CID 135510455

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(3,4-difluoroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one (CID 136779265) is 3-(3,4-difluoroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(3,4-difluoroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(3,4-difluoroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one is O=c1[nH]c(Nc2ccc(F)c(F)c2)nnc1Cc1ccco1.
What is the InChIKey of 3-(3,4-difluoroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one?
The InChIKey is GBOQBUBCFZIIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O2/c15-10-4-3-8(6-11(10)16)17-14-18-13(21)12(19-20-14)7-9-2-1-5-22-9/h1-6H,7H2,(H2,17,18,20,21).
What are the key properties of 3-(3,4-difluoroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one?
3-(3,4-difluoroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one has a molecular weight of 304.26 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluoroanilino)-6-(furan-2-ylmethyl)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 136779265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).