4-(furan-2-yl)-11-prop-2-enyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene

C13H10N6O — CID 10706855

IUPAC4-(furan-2-yl)-11-prop-2-enyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene
SMILESC=CCn1cc2c(ncn3nc(-c4ccco4)nc23)n1
InChIInChI=1S/C13H10N6O/c1-2-5-18-7-9-11(16-18)14-8-19-13(9)15-12(17-19)10-4-3-6-20-10/h2-4,6-8H,1,5H2
InChIKeyBUGFYDKFUQXHJN-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.92
Rot. Bonds3

About 4-(furan-2-yl)-11-prop-2-enyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene

4-(furan-2-yl)-11-prop-2-enyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene (PubChem CID 10706855) has the molecular formula C13H10N6O and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-(furan-2-yl)-11-prop-2-enyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene.

Molecular Properties

Compound Name4-(furan-2-yl)-11-prop-2-enyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene
PubChem CID10706855
Molecular FormulaC13H10N6O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name4-(furan-2-yl)-11-prop-2-enyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene
SMILESC=CCn1cc2c(ncn3nc(-c4ccco4)nc23)n1
InChIInChI=1S/C13H10N6O/c1-2-5-18-7-9-11(16-18)14-8-19-13(9)15-12(17-19)10-4-3-6-20-10/h2-4,6-8H,1,5H2
InChIKeyBUGFYDKFUQXHJN-UHFFFAOYSA-N
XLogP1.92
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(furan-2-yl)-11-prop-2-enyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene with MolForge

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Related Compounds

11-butyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene
CID 10493146
4-[2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]ethyl]phenol
CID 21220573
4-(furan-2-yl)-10-(4-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4908452
4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
CID 10587109
4-[2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]ethyl]benzene-1,2-diol
CID 21220583
4-(furan-2-yl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
CID 773036
10-(3-chloro-4-methylphenyl)-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 2007093
4-(furan-2-yl)-13-propan-2-yl-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
CID 4894050
2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110171339
6-bromo-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 87492476
N-[11-ethyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-(4-phenylphenyl)acetamide
CID 45481766
4-(furan-2-yl)-11-methyl-3,5,6,8,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
CID 57402117

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-11-prop-2-enyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene?
The IUPAC name of 4-(furan-2-yl)-11-prop-2-enyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene (CID 10706855) is 4-(furan-2-yl)-11-prop-2-enyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene.
What is the SMILES notation for 4-(furan-2-yl)-11-prop-2-enyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene?
The canonical SMILES for 4-(furan-2-yl)-11-prop-2-enyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene is C=CCn1cc2c(ncn3nc(-c4ccco4)nc23)n1.
What is the InChIKey of 4-(furan-2-yl)-11-prop-2-enyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene?
The InChIKey is BUGFYDKFUQXHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O/c1-2-5-18-7-9-11(16-18)14-8-19-13(9)15-12(17-19)10-4-3-6-20-10/h2-4,6-8H,1,5H2.
What are the key properties of 4-(furan-2-yl)-11-prop-2-enyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene?
4-(furan-2-yl)-11-prop-2-enyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene has a molecular weight of 266.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-11-prop-2-enyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaene is sourced from PubChem (CID 10706855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).