furan-2-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone

C15H13N3O2 — CID 110872518

IUPACfuran-2-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone
SMILESO=C(c1ccco1)N1CCc2nc3ccccn3c2C1
InChIInChI=1S/C15H13N3O2/c19-15(13-4-3-9-20-13)17-8-6-11-12(10-17)18-7-2-1-5-14(18)16-11/h1-5,7,9H,6,8,10H2
InChIKeySOFIZCUKMAQVHE-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.13
Rot. Bonds1

About furan-2-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone

furan-2-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone (PubChem CID 110872518) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is furan-2-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone
PubChem CID110872518
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Namefuran-2-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone
SMILESO=C(c1ccco1)N1CCc2nc3ccccn3c2C1
InChIInChI=1S/C15H13N3O2/c19-15(13-4-3-9-20-13)17-8-6-11-12(10-17)18-7-2-1-5-14(18)16-11/h1-5,7,9H,6,8,10H2
InChIKeySOFIZCUKMAQVHE-UHFFFAOYSA-N
XLogP2.13
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluorophenyl)-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone
CID 110872524
(2,3-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(furan-2-yl)methanone
CID 71836369
1,3-benzodioxol-5-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone
CID 110867078
furan-2-yl-(3-methylidenepyrrolidin-1-yl)methanone
CID 164652046
5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
CID 2333179
(4-cyclopropylidenepiperidin-1-yl)-(furan-2-yl)methanone
CID 121184150
2-benzyl-6-(furan-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135458589
[4-(3-ethylimidazo[1,5-a]pyridine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110674677
azepan-1-yl(furan-2-yl)methanone
CID 5200992
furan-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 47284651
furan-2-yl-(2-morpholin-4-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 83279074
[4-[ethyl(methyl)amino]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-(furan-2-yl)methanone
CID 97381457

Frequently Asked Questions

What is the IUPAC name of furan-2-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone?
The IUPAC name of furan-2-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone (CID 110872518) is furan-2-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone.
What is the SMILES notation for furan-2-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone?
The canonical SMILES for furan-2-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone is O=C(c1ccco1)N1CCc2nc3ccccn3c2C1.
What is the InChIKey of furan-2-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone?
The InChIKey is SOFIZCUKMAQVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-15(13-4-3-9-20-13)17-8-6-11-12(10-17)18-7-2-1-5-14(18)16-11/h1-5,7,9H,6,8,10H2.
What are the key properties of furan-2-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone?
furan-2-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone has a molecular weight of 267.29 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)methanone is sourced from PubChem (CID 110872518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).