3,10-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C10H7N2P — CID 135397783

IUPAC3,10-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cnc2c(c1)[pH]c1ncccc12
InChIInChI=1S/C10H7N2P/c1-3-7-9-8(4-2-5-11-9)13-10(7)12-6-1/h1-6,13H
InChIKeyVFCBAXYOLUAFGX-UHFFFAOYSA-N
MW186.15 g/mol
LogP2.81
Rot. Bonds

About 3,10-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

3,10-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 135397783) has the molecular formula C10H7N2P and a molecular weight of 186.15 g/mol. Its IUPAC name is 3,10-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name3,10-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID135397783
Molecular FormulaC10H7N2P
Molecular Weight186.15 g/mol
Exact Mass186.03
IUPAC Name3,10-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cnc2c(c1)[pH]c1ncccc12
InChIInChI=1S/C10H7N2P/c1-3-7-9-8(4-2-5-11-9)13-10(7)12-6-1/h1-6,13H
InChIKeyVFCBAXYOLUAFGX-UHFFFAOYSA-N
XLogP2.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.15
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,10-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 3,10-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 135397783) is 3,10-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 3,10-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 3,10-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1cnc2c(c1)[pH]c1ncccc12.
What is the InChIKey of 3,10-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is VFCBAXYOLUAFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N2P/c1-3-7-9-8(4-2-5-11-9)13-10(7)12-6-1/h1-6,13H.
What are the key properties of 3,10-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
3,10-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 186.15 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-diaza-8-phosphatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 135397783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).