(5E,7Z,9E,11Z)-1H-tetrazino[1,6-a]azecine

C10H10N4 — CID 87491730

IUPAC(5E,7Z,9E,11Z)-1H-tetrazino[1,6-a]azecine
SMILESC1=C2/C=C/C=C\C=C\C=C/N2NN=N1
InChIInChI=1S/C10H10N4/c1-2-4-6-8-14-10(7-5-3-1)9-11-12-13-14/h1-9H,(H,11,13)/b3-1-,4-2+,7-5+,8-6-
InChIKeyZGVJJHMPDLBXKA-QPDKCPSBSA-N
MW186.22 g/mol
LogP2.21
Rot. Bonds

About (5E,7Z,9E,11Z)-1H-tetrazino[1,6-a]azecine

(5E,7Z,9E,11Z)-1H-tetrazino[1,6-a]azecine (PubChem CID 87491730) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is (5E,7Z,9E,11Z)-1H-tetrazino[1,6-a]azecine.

Molecular Properties

Compound Name(5E,7Z,9E,11Z)-1H-tetrazino[1,6-a]azecine
PubChem CID87491730
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name(5E,7Z,9E,11Z)-1H-tetrazino[1,6-a]azecine
SMILESC1=C2/C=C/C=C\C=C\C=C/N2NN=N1
InChIInChI=1S/C10H10N4/c1-2-4-6-8-14-10(7-5-3-1)9-11-12-13-14/h1-9H,(H,11,13)/b3-1-,4-2+,7-5+,8-6-
InChIKeyZGVJJHMPDLBXKA-QPDKCPSBSA-N
XLogP2.21
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5E,7Z,9E,11Z)-1H-tetrazino[1,6-a]azecine?
The IUPAC name of (5E,7Z,9E,11Z)-1H-tetrazino[1,6-a]azecine (CID 87491730) is (5E,7Z,9E,11Z)-1H-tetrazino[1,6-a]azecine.
What is the SMILES notation for (5E,7Z,9E,11Z)-1H-tetrazino[1,6-a]azecine?
The canonical SMILES for (5E,7Z,9E,11Z)-1H-tetrazino[1,6-a]azecine is C1=C2/C=C/C=C\C=C\C=C/N2NN=N1.
What is the InChIKey of (5E,7Z,9E,11Z)-1H-tetrazino[1,6-a]azecine?
The InChIKey is ZGVJJHMPDLBXKA-QPDKCPSBSA-N. The full InChI is InChI=1S/C10H10N4/c1-2-4-6-8-14-10(7-5-3-1)9-11-12-13-14/h1-9H,(H,11,13)/b3-1-,4-2+,7-5+,8-6-.
What are the key properties of (5E,7Z,9E,11Z)-1H-tetrazino[1,6-a]azecine?
(5E,7Z,9E,11Z)-1H-tetrazino[1,6-a]azecine has a molecular weight of 186.22 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z,9E,11Z)-1H-tetrazino[1,6-a]azecine is sourced from PubChem (CID 87491730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).