(2Z,4Z)-tetrazocine

C4H4N4 — CID 172997173

IUPAC(2Z,4Z)-tetrazocine
SMILESC1=C/C=N\N=N/N=C1
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-RTKYCRPUSA-N
MW108.10 g/mol
LogP0.98
Rot. Bonds

About (2Z,4Z)-tetrazocine

(2Z,4Z)-tetrazocine (PubChem CID 172997173) has the molecular formula C4H4N4 and a molecular weight of 108.10 g/mol. Its IUPAC name is (2Z,4Z)-tetrazocine.

Molecular Properties

Compound Name(2Z,4Z)-tetrazocine
PubChem CID172997173
Molecular FormulaC4H4N4
Molecular Weight108.10 g/mol
Exact Mass108.04
IUPAC Name(2Z,4Z)-tetrazocine
SMILESC1=C/C=N\N=N/N=C1
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-RTKYCRPUSA-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 (2Z,4Z)-tetrazocine?
The IUPAC name of (2Z,4Z)-tetrazocine (CID 172997173) is (2Z,4Z)-tetrazocine.
What is the SMILES notation for (2Z,4Z)-tetrazocine?
The canonical SMILES for (2Z,4Z)-tetrazocine is C1=C/C=N\N=N/N=C1.
What is the InChIKey of (2Z,4Z)-tetrazocine?
The InChIKey is UDJLHSTXPBUNBQ-RTKYCRPUSA-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 (2Z,4Z)-tetrazocine?
(2Z,4Z)-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 (2Z,4Z)-tetrazocine is sourced from PubChem (CID 172997173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).