(8Z)-1,4,7,10-tetrazatricyclo[5.5.1.04,13]trideca-2,5,8,10-tetraene

C9H10N4 — CID 67769658

IUPAC(8Z)-1,4,7,10-tetrazatricyclo[5.5.1.04,13]trideca-2,5,8,10-tetraene
SMILESC1=CN2/C=C\N=C/CN3C=CN1C23
InChIInChI=1S/C9H10N4/c1-3-11-5-7-13-8-6-12(9(11)13)4-2-10-1/h1-3,5-9H,4H2/b3-1-,10-2-
InChIKeyZUYJEGCGDCFDTI-FDXGLZEBSA-N
MW174.21 g/mol
LogP0.70
Rot. Bonds

About (8Z)-1,4,7,10-tetrazatricyclo[5.5.1.04,13]trideca-2,5,8,10-tetraene

(8Z)-1,4,7,10-tetrazatricyclo[5.5.1.04,13]trideca-2,5,8,10-tetraene (PubChem CID 67769658) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is (8Z)-1,4,7,10-tetrazatricyclo[5.5.1.04,13]trideca-2,5,8,10-tetraene.

Molecular Properties

Compound Name(8Z)-1,4,7,10-tetrazatricyclo[5.5.1.04,13]trideca-2,5,8,10-tetraene
PubChem CID67769658
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name(8Z)-1,4,7,10-tetrazatricyclo[5.5.1.04,13]trideca-2,5,8,10-tetraene
SMILESC1=CN2/C=C\N=C/CN3C=CN1C23
InChIInChI=1S/C9H10N4/c1-3-11-5-7-13-8-6-12(9(11)13)4-2-10-1/h1-3,5-9H,4H2/b3-1-,10-2-
InChIKeyZUYJEGCGDCFDTI-FDXGLZEBSA-N
XLogP0.70
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8Z)-1,4,7,10-tetrazatricyclo[5.5.1.04,13]trideca-2,5,8,10-tetraene?
The IUPAC name of (8Z)-1,4,7,10-tetrazatricyclo[5.5.1.04,13]trideca-2,5,8,10-tetraene (CID 67769658) is (8Z)-1,4,7,10-tetrazatricyclo[5.5.1.04,13]trideca-2,5,8,10-tetraene.
What is the SMILES notation for (8Z)-1,4,7,10-tetrazatricyclo[5.5.1.04,13]trideca-2,5,8,10-tetraene?
The canonical SMILES for (8Z)-1,4,7,10-tetrazatricyclo[5.5.1.04,13]trideca-2,5,8,10-tetraene is C1=CN2/C=C\N=C/CN3C=CN1C23.
What is the InChIKey of (8Z)-1,4,7,10-tetrazatricyclo[5.5.1.04,13]trideca-2,5,8,10-tetraene?
The InChIKey is ZUYJEGCGDCFDTI-FDXGLZEBSA-N. The full InChI is InChI=1S/C9H10N4/c1-3-11-5-7-13-8-6-12(9(11)13)4-2-10-1/h1-3,5-9H,4H2/b3-1-,10-2-.
What are the key properties of (8Z)-1,4,7,10-tetrazatricyclo[5.5.1.04,13]trideca-2,5,8,10-tetraene?
(8Z)-1,4,7,10-tetrazatricyclo[5.5.1.04,13]trideca-2,5,8,10-tetraene has a molecular weight of 174.21 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-1,4,7,10-tetrazatricyclo[5.5.1.04,13]trideca-2,5,8,10-tetraene is sourced from PubChem (CID 67769658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).