(1Z,2Z,4Z,6Z)-tetrazocine

C4H4N4 — CID 23639550

IUPAC(1Z,2Z,4Z,6Z)-tetrazocine
SMILESC1=C\C=N/N=N\N=C/1
InChIInChI=1S/C4H4N4/c1-2-4-6-8-7-5-3-1/h1-4H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,8-7-
InChIKeyUDJLHSTXPBUNBQ-BONZMOEMSA-N
MW108.10 g/mol
LogP0.98
Rot. Bonds

About (1Z,2Z,4Z,6Z)-tetrazocine

(1Z,2Z,4Z,6Z)-tetrazocine (PubChem CID 23639550) has the molecular formula C4H4N4 and a molecular weight of 108.10 g/mol. Its IUPAC name is (1Z,2Z,4Z,6Z)-tetrazocine.

Molecular Properties

Compound Name(1Z,2Z,4Z,6Z)-tetrazocine
PubChem CID23639550
Molecular FormulaC4H4N4
Molecular Weight108.10 g/mol
Exact Mass108.04
IUPAC Name(1Z,2Z,4Z,6Z)-tetrazocine
SMILESC1=C\C=N/N=N\N=C/1
InChIInChI=1S/C4H4N4/c1-2-4-6-8-7-5-3-1/h1-4H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,8-7-
InChIKeyUDJLHSTXPBUNBQ-BONZMOEMSA-N
XLogP0.98
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1Z,2Z,4Z,6Z)-tetrazocine?
The IUPAC name of (1Z,2Z,4Z,6Z)-tetrazocine (CID 23639550) is (1Z,2Z,4Z,6Z)-tetrazocine.
What is the SMILES notation for (1Z,2Z,4Z,6Z)-tetrazocine?
The canonical SMILES for (1Z,2Z,4Z,6Z)-tetrazocine is C1=C\C=N/N=N\N=C/1.
What is the InChIKey of (1Z,2Z,4Z,6Z)-tetrazocine?
The InChIKey is UDJLHSTXPBUNBQ-BONZMOEMSA-N. The full InChI is InChI=1S/C4H4N4/c1-2-4-6-8-7-5-3-1/h1-4H/b2-1-,3-1-,4-2-,5-3-,6-4-,7-5-,8-6-,8-7-.
What are the key properties of (1Z,2Z,4Z,6Z)-tetrazocine?
(1Z,2Z,4Z,6Z)-tetrazocine has a molecular weight of 108.10 g/mol, XLogP of 0.98, 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)-tetrazocine is sourced from PubChem (CID 23639550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).