(1Z,2Z,4Z,6Z,8Z,10Z,12Z,14Z)-1,2,3,4-tetrazacyclohexadeca-2,4,6,8,10,12,14,16-octaene

C12H12N4 — CID 137185782

IUPAC(1Z,2Z,4Z,6Z,8Z,10Z,12Z,14Z)-1,2,3,4-tetrazacyclohexadeca-2,4,6,8,10,12,14,16-octaene
SMILESC1=C\C=C/C=C\C=N\N=N\N=C/C=C\C=C/1
InChIInChI=1S/C12H12N4/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-12H/b2-1-,3-1-,4-2+,5-3-,6-4-,7-5+,8-6+,9-7-,10-8-,11-9+,12-10-,13-11-,14-12-,15-13-,16-14+,16-15+
InChIKeyIIPDNBATLNTBIN-HPXZGBJHSA-N
MW212.26 g/mol
LogP3.20
Rot. Bonds

About (1Z,2Z,4Z,6Z,8Z,10Z,12Z,14Z)-1,2,3,4-tetrazacyclohexadeca-2,4,6,8,10,12,14,16-octaene

(1Z,2Z,4Z,6Z,8Z,10Z,12Z,14Z)-1,2,3,4-tetrazacyclohexadeca-2,4,6,8,10,12,14,16-octaene (PubChem CID 137185782) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is (1Z,2Z,4Z,6Z,8Z,10Z,12Z,14Z)-1,2,3,4-tetrazacyclohexadeca-2,4,6,8,10,12,14,16-octaene.

Molecular Properties

Compound Name(1Z,2Z,4Z,6Z,8Z,10Z,12Z,14Z)-1,2,3,4-tetrazacyclohexadeca-2,4,6,8,10,12,14,16-octaene
PubChem CID137185782
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name(1Z,2Z,4Z,6Z,8Z,10Z,12Z,14Z)-1,2,3,4-tetrazacyclohexadeca-2,4,6,8,10,12,14,16-octaene
SMILESC1=C\C=C/C=C\C=N\N=N\N=C/C=C\C=C/1
InChIInChI=1S/C12H12N4/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-12H/b2-1-,3-1-,4-2+,5-3-,6-4-,7-5+,8-6+,9-7-,10-8-,11-9+,12-10-,13-11-,14-12-,15-13-,16-14+,16-15+
InChIKeyIIPDNBATLNTBIN-HPXZGBJHSA-N
XLogP3.20
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1Z,2Z,4Z,6Z,8Z,10Z,12Z,14Z)-1,2,3,4-tetrazacyclohexadeca-2,4,6,8,10,12,14,16-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z,2Z,4Z,6Z,8Z,10Z,12Z,14Z)-1,2,3,4-tetrazacyclohexadeca-2,4,6,8,10,12,14,16-octaene?
The IUPAC name of (1Z,2Z,4Z,6Z,8Z,10Z,12Z,14Z)-1,2,3,4-tetrazacyclohexadeca-2,4,6,8,10,12,14,16-octaene (CID 137185782) is (1Z,2Z,4Z,6Z,8Z,10Z,12Z,14Z)-1,2,3,4-tetrazacyclohexadeca-2,4,6,8,10,12,14,16-octaene.
What is the SMILES notation for (1Z,2Z,4Z,6Z,8Z,10Z,12Z,14Z)-1,2,3,4-tetrazacyclohexadeca-2,4,6,8,10,12,14,16-octaene?
The canonical SMILES for (1Z,2Z,4Z,6Z,8Z,10Z,12Z,14Z)-1,2,3,4-tetrazacyclohexadeca-2,4,6,8,10,12,14,16-octaene is C1=C\C=C/C=C\C=N\N=N\N=C/C=C\C=C/1.
What is the InChIKey of (1Z,2Z,4Z,6Z,8Z,10Z,12Z,14Z)-1,2,3,4-tetrazacyclohexadeca-2,4,6,8,10,12,14,16-octaene?
The InChIKey is IIPDNBATLNTBIN-HPXZGBJHSA-N. The full InChI is InChI=1S/C12H12N4/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-12H/b2-1-,3-1-,4-2+,5-3-,6-4-,7-5+,8-6+,9-7-,10-8-,11-9+,12-10-,13-11-,14-12-,15-13-,16-14+,16-15+.
What are the key properties of (1Z,2Z,4Z,6Z,8Z,10Z,12Z,14Z)-1,2,3,4-tetrazacyclohexadeca-2,4,6,8,10,12,14,16-octaene?
(1Z,2Z,4Z,6Z,8Z,10Z,12Z,14Z)-1,2,3,4-tetrazacyclohexadeca-2,4,6,8,10,12,14,16-octaene has a molecular weight of 212.26 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,2Z,4Z,6Z,8Z,10Z,12Z,14Z)-1,2,3,4-tetrazacyclohexadeca-2,4,6,8,10,12,14,16-octaene is sourced from PubChem (CID 137185782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).