furan-2-yl-[4-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperazin-1-yl]methanone

C17H18N6O2 — CID 3227201

IUPACfuran-2-yl-[4-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2c3c(nc4ncnn24)CCC3)CC1
InChIInChI=1S/C17H18N6O2/c24-16(14-5-2-10-25-14)22-8-6-21(7-9-22)15-12-3-1-4-13(12)20-17-18-11-19-23(15)17/h2,5,10-11H,1,3-4,6-9H2
InChIKeyHYSJLIFPXNIPIE-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.17
Rot. Bonds2

About furan-2-yl-[4-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperazin-1-yl]methanone

furan-2-yl-[4-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperazin-1-yl]methanone (PubChem CID 3227201) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is furan-2-yl-[4-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperazin-1-yl]methanone
PubChem CID3227201
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Namefuran-2-yl-[4-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2c3c(nc4ncnn24)CCC3)CC1
InChIInChI=1S/C17H18N6O2/c24-16(14-5-2-10-25-14)22-8-6-21(7-9-22)15-12-3-1-4-13(12)20-17-18-11-19-23(15)17/h2,5,10-11H,1,3-4,6-9H2
InChIKeyHYSJLIFPXNIPIE-UHFFFAOYSA-N
XLogP1.17
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze furan-2-yl-[4-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

furan-2-yl-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 646747
2-(4-benzylpiperazin-1-yl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 50800634
N-(2-phenylethyl)-1-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperidine-4-carboxamide
CID 43816956
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide;oxalic acid
CID 3240011
furan-2-yl-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
CID 18150145
furan-2-yl-[4-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 1149179
[(3R)-3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 95111508
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[4-(2-ethyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 56881987
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperazin-1-yl]methanone (CID 3227201) is furan-2-yl-[4-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(c2c3c(nc4ncnn24)CCC3)CC1.
What is the InChIKey of furan-2-yl-[4-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperazin-1-yl]methanone?
The InChIKey is HYSJLIFPXNIPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-16(14-5-2-10-25-14)22-8-6-21(7-9-22)15-12-3-1-4-13(12)20-17-18-11-19-23(15)17/h2,5,10-11H,1,3-4,6-9H2.
What are the key properties of furan-2-yl-[4-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperazin-1-yl]methanone?
furan-2-yl-[4-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperazin-1-yl]methanone has a molecular weight of 338.37 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 3227201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).