spiro[1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3,1'-cyclohexane]

C15H19N3 — CID 25330438

IUPACspiro[1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3,1'-cyclohexane]
SMILESc1ccn2c3c(nc2c1)CCNC31CCCCC1
InChIInChI=1S/C15H19N3/c1-3-8-15(9-4-1)14-12(7-10-16-15)17-13-6-2-5-11-18(13)14/h2,5-6,11,16H,1,3-4,7-10H2
InChIKeyWEKIDZCIWZNOSC-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.64
Rot. Bonds

About spiro[1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3,1'-cyclohexane]

spiro[1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3,1'-cyclohexane] (PubChem CID 25330438) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is spiro[1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3,1'-cyclohexane].

Molecular Properties

Compound Namespiro[1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3,1'-cyclohexane]
PubChem CID25330438
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Namespiro[1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3,1'-cyclohexane]
SMILESc1ccn2c3c(nc2c1)CCNC31CCCCC1
InChIInChI=1S/C15H19N3/c1-3-8-15(9-4-1)14-12(7-10-16-15)17-13-6-2-5-11-18(13)14/h2,5-6,11,16H,1,3-4,7-10H2
InChIKeyWEKIDZCIWZNOSC-UHFFFAOYSA-N
XLogP2.64
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3,1'-cyclohexane]?
The IUPAC name of spiro[1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3,1'-cyclohexane] (CID 25330438) is spiro[1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3,1'-cyclohexane].
What is the SMILES notation for spiro[1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3,1'-cyclohexane]?
The canonical SMILES for spiro[1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3,1'-cyclohexane] is c1ccn2c3c(nc2c1)CCNC31CCCCC1.
What is the InChIKey of spiro[1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3,1'-cyclohexane]?
The InChIKey is WEKIDZCIWZNOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-8-15(9-4-1)14-12(7-10-16-15)17-13-6-2-5-11-18(13)14/h2,5-6,11,16H,1,3-4,7-10H2.
What are the key properties of spiro[1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3,1'-cyclohexane]?
spiro[1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3,1'-cyclohexane] has a molecular weight of 241.34 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3,1'-cyclohexane] is sourced from PubChem (CID 25330438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).