10-phenyl-3-oxa-1,4,7,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-5-amine

C12H8N6O — CID 66485234

IUPAC10-phenyl-3-oxa-1,4,7,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-5-amine
SMILESNc1noc2c1nnc1c(-c3ccccc3)cnn12
InChIInChI=1S/C12H8N6O/c13-10-9-12(19-17-10)18-11(16-15-9)8(6-14-18)7-4-2-1-3-5-7/h1-6H,(H2,13,17)
InChIKeyBNGNLAZWLNKRFO-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.51
Rot. Bonds1

About 10-phenyl-3-oxa-1,4,7,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-5-amine

10-phenyl-3-oxa-1,4,7,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-5-amine (PubChem CID 66485234) has the molecular formula C12H8N6O and a molecular weight of 252.24 g/mol. Its IUPAC name is 10-phenyl-3-oxa-1,4,7,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-5-amine.

Molecular Properties

Compound Name10-phenyl-3-oxa-1,4,7,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-5-amine
PubChem CID66485234
Molecular FormulaC12H8N6O
Molecular Weight252.24 g/mol
Exact Mass252.08
IUPAC Name10-phenyl-3-oxa-1,4,7,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-5-amine
SMILESNc1noc2c1nnc1c(-c3ccccc3)cnn12
InChIInChI=1S/C12H8N6O/c13-10-9-12(19-17-10)18-11(16-15-9)8(6-14-18)7-4-2-1-3-5-7/h1-6H,(H2,13,17)
InChIKeyBNGNLAZWLNKRFO-UHFFFAOYSA-N
XLogP1.51
TPSA95.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3-oxa-1,4,7,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-5-amine?
The IUPAC name of 10-phenyl-3-oxa-1,4,7,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-5-amine (CID 66485234) is 10-phenyl-3-oxa-1,4,7,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-5-amine.
What is the SMILES notation for 10-phenyl-3-oxa-1,4,7,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-5-amine?
The canonical SMILES for 10-phenyl-3-oxa-1,4,7,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-5-amine is Nc1noc2c1nnc1c(-c3ccccc3)cnn12.
What is the InChIKey of 10-phenyl-3-oxa-1,4,7,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-5-amine?
The InChIKey is BNGNLAZWLNKRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6O/c13-10-9-12(19-17-10)18-11(16-15-9)8(6-14-18)7-4-2-1-3-5-7/h1-6H,(H2,13,17).
What are the key properties of 10-phenyl-3-oxa-1,4,7,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-5-amine?
10-phenyl-3-oxa-1,4,7,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-5-amine has a molecular weight of 252.24 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-3-oxa-1,4,7,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-5-amine is sourced from PubChem (CID 66485234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).