2,6,12,14-tetrazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile

C11H5N5 — CID 172543714

IUPAC2,6,12,14-tetrazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile
SMILESN#Cc1cc2cncc-2cnc2ncnc1-2
InChIInChI=1S/C11H5N5/c12-2-7-1-8-3-13-4-9(8)5-14-11-10(7)15-6-16-11/h1,3-6H/b7-1-,8-1-,9-5-,10-7-,14-5-,14-11+
InChIKeyZLXCSNBBFPHTAH-UAMAIWSKSA-N
MW207.20 g/mol
LogP1.35
Rot. Bonds

About 2,6,12,14-tetrazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile

2,6,12,14-tetrazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile (PubChem CID 172543714) has the molecular formula C11H5N5 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2,6,12,14-tetrazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile.

Molecular Properties

Compound Name2,6,12,14-tetrazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile
PubChem CID172543714
Molecular FormulaC11H5N5
Molecular Weight207.20 g/mol
Exact Mass207.05
IUPAC Name2,6,12,14-tetrazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile
SMILESN#Cc1cc2cncc-2cnc2ncnc1-2
InChIInChI=1S/C11H5N5/c12-2-7-1-8-3-13-4-9(8)5-14-11-10(7)15-6-16-11/h1,3-6H/b7-1-,8-1-,9-5-,10-7-,14-5-,14-11+
InChIKeyZLXCSNBBFPHTAH-UAMAIWSKSA-N
XLogP1.35
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6,12,14-tetrazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile?
The IUPAC name of 2,6,12,14-tetrazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile (CID 172543714) is 2,6,12,14-tetrazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile.
What is the SMILES notation for 2,6,12,14-tetrazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile?
The canonical SMILES for 2,6,12,14-tetrazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile is N#Cc1cc2cncc-2cnc2ncnc1-2.
What is the InChIKey of 2,6,12,14-tetrazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile?
The InChIKey is ZLXCSNBBFPHTAH-UAMAIWSKSA-N. The full InChI is InChI=1S/C11H5N5/c12-2-7-1-8-3-13-4-9(8)5-14-11-10(7)15-6-16-11/h1,3-6H/b7-1-,8-1-,9-5-,10-7-,14-5-,14-11+.
What are the key properties of 2,6,12,14-tetrazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile?
2,6,12,14-tetrazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile has a molecular weight of 207.20 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,12,14-tetrazatricyclo[9.3.0.04,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-10-carbonitrile is sourced from PubChem (CID 172543714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).