(3E,7E)-3,15-dimethyl-2,9,14,15-tetrazabicyclo[10.3.0]pentadeca-1(12),3,7,13-tetraene

C13H20N4 — CID 137200370

IUPAC(3E,7E)-3,15-dimethyl-2,9,14,15-tetrazabicyclo[10.3.0]pentadeca-1(12),3,7,13-tetraene
SMILESC/C1=C\CC/C=C/NCCc2cnn(C)c2N1
InChIInChI=1S/C13H20N4/c1-11-6-4-3-5-8-14-9-7-12-10-15-17(2)13(12)16-11/h5-6,8,10,14,16H,3-4,7,9H2,1-2H3/b8-5+,11-6+
InChIKeyZFUVKJICGCWTAW-XSIURBDDSA-N
MW232.33 g/mol
LogP2.18
Rot. Bonds

About (3E,7E)-3,15-dimethyl-2,9,14,15-tetrazabicyclo[10.3.0]pentadeca-1(12),3,7,13-tetraene

(3E,7E)-3,15-dimethyl-2,9,14,15-tetrazabicyclo[10.3.0]pentadeca-1(12),3,7,13-tetraene (PubChem CID 137200370) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is (3E,7E)-3,15-dimethyl-2,9,14,15-tetrazabicyclo[10.3.0]pentadeca-1(12),3,7,13-tetraene.

Molecular Properties

Compound Name(3E,7E)-3,15-dimethyl-2,9,14,15-tetrazabicyclo[10.3.0]pentadeca-1(12),3,7,13-tetraene
PubChem CID137200370
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name(3E,7E)-3,15-dimethyl-2,9,14,15-tetrazabicyclo[10.3.0]pentadeca-1(12),3,7,13-tetraene
SMILESC/C1=C\CC/C=C/NCCc2cnn(C)c2N1
InChIInChI=1S/C13H20N4/c1-11-6-4-3-5-8-14-9-7-12-10-15-17(2)13(12)16-11/h5-6,8,10,14,16H,3-4,7,9H2,1-2H3/b8-5+,11-6+
InChIKeyZFUVKJICGCWTAW-XSIURBDDSA-N
XLogP2.18
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3E,7E)-3,15-dimethyl-2,9,14,15-tetrazabicyclo[10.3.0]pentadeca-1(12),3,7,13-tetraene?
The IUPAC name of (3E,7E)-3,15-dimethyl-2,9,14,15-tetrazabicyclo[10.3.0]pentadeca-1(12),3,7,13-tetraene (CID 137200370) is (3E,7E)-3,15-dimethyl-2,9,14,15-tetrazabicyclo[10.3.0]pentadeca-1(12),3,7,13-tetraene.
What is the SMILES notation for (3E,7E)-3,15-dimethyl-2,9,14,15-tetrazabicyclo[10.3.0]pentadeca-1(12),3,7,13-tetraene?
The canonical SMILES for (3E,7E)-3,15-dimethyl-2,9,14,15-tetrazabicyclo[10.3.0]pentadeca-1(12),3,7,13-tetraene is C/C1=C\CC/C=C/NCCc2cnn(C)c2N1.
What is the InChIKey of (3E,7E)-3,15-dimethyl-2,9,14,15-tetrazabicyclo[10.3.0]pentadeca-1(12),3,7,13-tetraene?
The InChIKey is ZFUVKJICGCWTAW-XSIURBDDSA-N. The full InChI is InChI=1S/C13H20N4/c1-11-6-4-3-5-8-14-9-7-12-10-15-17(2)13(12)16-11/h5-6,8,10,14,16H,3-4,7,9H2,1-2H3/b8-5+,11-6+.
What are the key properties of (3E,7E)-3,15-dimethyl-2,9,14,15-tetrazabicyclo[10.3.0]pentadeca-1(12),3,7,13-tetraene?
(3E,7E)-3,15-dimethyl-2,9,14,15-tetrazabicyclo[10.3.0]pentadeca-1(12),3,7,13-tetraene has a molecular weight of 232.33 g/mol, XLogP of 2.18, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E)-3,15-dimethyl-2,9,14,15-tetrazabicyclo[10.3.0]pentadeca-1(12),3,7,13-tetraene is sourced from PubChem (CID 137200370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).