7-amino-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one

C14H10N6O — CID 42626155

IUPAC7-amino-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one
SMILESNc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12
InChIInChI=1S/C14H10N6O/c15-11-13-18-20(9-5-2-1-3-6-9)14(21)19(13)10-7-4-8-16-12(10)17-11/h1-8H,(H2,15,16,17)
InChIKeyYVRXLIZIXFSPTI-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.01
Rot. Bonds1

About 7-amino-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one

7-amino-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one (PubChem CID 42626155) has the molecular formula C14H10N6O and a molecular weight of 278.28 g/mol. Its IUPAC name is 7-amino-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one.

Molecular Properties

Compound Name7-amino-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one
PubChem CID42626155
Molecular FormulaC14H10N6O
Molecular Weight278.28 g/mol
Exact Mass278.09
IUPAC Name7-amino-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one
SMILESNc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12
InChIInChI=1S/C14H10N6O/c15-11-13-18-20(9-5-2-1-3-6-9)14(21)19(13)10-7-4-8-16-12(10)17-11/h1-8H,(H2,15,16,17)
InChIKeyYVRXLIZIXFSPTI-UHFFFAOYSA-N
XLogP1.01
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one?
The IUPAC name of 7-amino-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one (CID 42626155) is 7-amino-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one.
What is the SMILES notation for 7-amino-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one?
The canonical SMILES for 7-amino-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one is Nc1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12.
What is the InChIKey of 7-amino-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one?
The InChIKey is YVRXLIZIXFSPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O/c15-11-13-18-20(9-5-2-1-3-6-9)14(21)19(13)10-7-4-8-16-12(10)17-11/h1-8H,(H2,15,16,17).
What are the key properties of 7-amino-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one?
7-amino-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one has a molecular weight of 278.28 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-phenyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),5,7,10,12-pentaen-3-one is sourced from PubChem (CID 42626155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).