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

C12H8N4O2 — CID 135516464

IUPAC3-(furan-2-yl)-6-pyridin-4-yl-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(-c2ccco2)nnc1-c1ccncc1
InChIInChI=1S/C12H8N4O2/c17-12-10(8-3-5-13-6-4-8)15-16-11(14-12)9-2-1-7-18-9/h1-7H,(H,14,16,17)
InChIKeyWJQIBGHLTGMDRZ-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.49
Rot. Bonds2

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

3-(furan-2-yl)-6-pyridin-4-yl-4H-1,2,4-triazin-5-one (PubChem CID 135516464) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 3-(furan-2-yl)-6-pyridin-4-yl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(furan-2-yl)-6-pyridin-4-yl-4H-1,2,4-triazin-5-one
PubChem CID135516464
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name3-(furan-2-yl)-6-pyridin-4-yl-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(-c2ccco2)nnc1-c1ccncc1
InChIInChI=1S/C12H8N4O2/c17-12-10(8-3-5-13-6-4-8)15-16-11(14-12)9-2-1-7-18-9/h1-7H,(H,14,16,17)
InChIKeyWJQIBGHLTGMDRZ-UHFFFAOYSA-N
XLogP1.49
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(furan-2-yl)-6-pyridin-4-yl-1H-pyrazin-2-one
CID 59457637
2-[[3-(furan-2-yl)-6-pyridin-4-yl-1,2,4-triazin-5-yl]amino]ethanol
CID 6412520
2-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 82281081
5-(4-bromophenyl)-2-(furan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 79437608
2-(furan-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941277
2-[3-ethyl-6-(furan-2-yl)-5-pyridin-4-ylpyrazin-2-yl]acetamide
CID 91526020
2-(furan-2-yl)-5-methyl-4-phenyl-1H-imidazole
CID 73335465
5-methyl-2,4-dipyridin-4-yl-1H-pyrimidin-6-one
CID 135581354
2-(furan-2-yl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975234
3-prop-2-enylsulfanyl-6-pyridin-4-yl-4H-1,2,4-triazin-5-one
CID 136620447
5-methyl-2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135753934
5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136764386

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-6-pyridin-4-yl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(furan-2-yl)-6-pyridin-4-yl-4H-1,2,4-triazin-5-one (CID 135516464) is 3-(furan-2-yl)-6-pyridin-4-yl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(furan-2-yl)-6-pyridin-4-yl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(furan-2-yl)-6-pyridin-4-yl-4H-1,2,4-triazin-5-one is O=c1[nH]c(-c2ccco2)nnc1-c1ccncc1.
What is the InChIKey of 3-(furan-2-yl)-6-pyridin-4-yl-4H-1,2,4-triazin-5-one?
The InChIKey is WJQIBGHLTGMDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c17-12-10(8-3-5-13-6-4-8)15-16-11(14-12)9-2-1-7-18-9/h1-7H,(H,14,16,17).
What are the key properties of 3-(furan-2-yl)-6-pyridin-4-yl-4H-1,2,4-triazin-5-one?
3-(furan-2-yl)-6-pyridin-4-yl-4H-1,2,4-triazin-5-one has a molecular weight of 240.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-6-pyridin-4-yl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135516464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).