6,12-diethyl-5,6,8,10,12,13-hexazatricyclo[9.3.0.03,7]tetradeca-1(11),3(7),4,13-tetraene

C12H18N6 — CID 4799062

IUPAC6,12-diethyl-5,6,8,10,12,13-hexazatricyclo[9.3.0.03,7]tetradeca-1(11),3(7),4,13-tetraene
SMILESCCn1ncc2c1NCNc1c(cnn1CC)C2
InChIInChI=1S/C12H18N6/c1-3-17-11-9(6-15-17)5-10-7-16-18(4-2)12(10)14-8-13-11/h6-7,13-14H,3-5,8H2,1-2H3
InChIKeyVHBOPURASRCXEY-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.51
Rot. Bonds2

About 6,12-diethyl-5,6,8,10,12,13-hexazatricyclo[9.3.0.03,7]tetradeca-1(11),3(7),4,13-tetraene

6,12-diethyl-5,6,8,10,12,13-hexazatricyclo[9.3.0.03,7]tetradeca-1(11),3(7),4,13-tetraene (PubChem CID 4799062) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 6,12-diethyl-5,6,8,10,12,13-hexazatricyclo[9.3.0.03,7]tetradeca-1(11),3(7),4,13-tetraene.

Molecular Properties

Compound Name6,12-diethyl-5,6,8,10,12,13-hexazatricyclo[9.3.0.03,7]tetradeca-1(11),3(7),4,13-tetraene
PubChem CID4799062
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name6,12-diethyl-5,6,8,10,12,13-hexazatricyclo[9.3.0.03,7]tetradeca-1(11),3(7),4,13-tetraene
SMILESCCn1ncc2c1NCNc1c(cnn1CC)C2
InChIInChI=1S/C12H18N6/c1-3-17-11-9(6-15-17)5-10-7-16-18(4-2)12(10)14-8-13-11/h6-7,13-14H,3-5,8H2,1-2H3
InChIKeyVHBOPURASRCXEY-UHFFFAOYSA-N
XLogP1.51
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,12-diethyl-5,6,8,10,12,13-hexazatricyclo[9.3.0.03,7]tetradeca-1(11),3(7),4,13-tetraene?
The IUPAC name of 6,12-diethyl-5,6,8,10,12,13-hexazatricyclo[9.3.0.03,7]tetradeca-1(11),3(7),4,13-tetraene (CID 4799062) is 6,12-diethyl-5,6,8,10,12,13-hexazatricyclo[9.3.0.03,7]tetradeca-1(11),3(7),4,13-tetraene.
What is the SMILES notation for 6,12-diethyl-5,6,8,10,12,13-hexazatricyclo[9.3.0.03,7]tetradeca-1(11),3(7),4,13-tetraene?
The canonical SMILES for 6,12-diethyl-5,6,8,10,12,13-hexazatricyclo[9.3.0.03,7]tetradeca-1(11),3(7),4,13-tetraene is CCn1ncc2c1NCNc1c(cnn1CC)C2.
What is the InChIKey of 6,12-diethyl-5,6,8,10,12,13-hexazatricyclo[9.3.0.03,7]tetradeca-1(11),3(7),4,13-tetraene?
The InChIKey is VHBOPURASRCXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-3-17-11-9(6-15-17)5-10-7-16-18(4-2)12(10)14-8-13-11/h6-7,13-14H,3-5,8H2,1-2H3.
What are the key properties of 6,12-diethyl-5,6,8,10,12,13-hexazatricyclo[9.3.0.03,7]tetradeca-1(11),3(7),4,13-tetraene?
6,12-diethyl-5,6,8,10,12,13-hexazatricyclo[9.3.0.03,7]tetradeca-1(11),3(7),4,13-tetraene has a molecular weight of 246.32 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-diethyl-5,6,8,10,12,13-hexazatricyclo[9.3.0.03,7]tetradeca-1(11),3(7),4,13-tetraene is sourced from PubChem (CID 4799062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).