(7Z)-1,3,5-triazocine

C5H5N3 — CID 135084024

IUPAC(7Z)-1,3,5-triazocine
SMILESC1=C\N=C/N=C\N=C/1
InChIInChI=1S/C5H5N3/c1-2-6-4-8-5-7-3-1/h1-5H/b2-1-,3-1-,6-2-,6-4-,7-3-,7-5-,8-4-,8-5-
InChIKeyZNJGPGUALMQKIT-IBQKWSCZSA-N
MW107.12 g/mol
LogP0.64
Rot. Bonds

About (7Z)-1,3,5-triazocine

(7Z)-1,3,5-triazocine (PubChem CID 135084024) has the molecular formula C5H5N3 and a molecular weight of 107.12 g/mol. Its IUPAC name is (7Z)-1,3,5-triazocine.

Molecular Properties

Compound Name(7Z)-1,3,5-triazocine
PubChem CID135084024
Molecular FormulaC5H5N3
Molecular Weight107.12 g/mol
Exact Mass107.05
IUPAC Name(7Z)-1,3,5-triazocine
SMILESC1=C\N=C/N=C\N=C/1
InChIInChI=1S/C5H5N3/c1-2-6-4-8-5-7-3-1/h1-5H/b2-1-,3-1-,6-2-,6-4-,7-3-,7-5-,8-4-,8-5-
InChIKeyZNJGPGUALMQKIT-IBQKWSCZSA-N
XLogP0.64
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.12
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7Z)-1,3,5-triazocine?
The IUPAC name of (7Z)-1,3,5-triazocine (CID 135084024) is (7Z)-1,3,5-triazocine.
What is the SMILES notation for (7Z)-1,3,5-triazocine?
The canonical SMILES for (7Z)-1,3,5-triazocine is C1=C\N=C/N=C\N=C/1.
What is the InChIKey of (7Z)-1,3,5-triazocine?
The InChIKey is ZNJGPGUALMQKIT-IBQKWSCZSA-N. The full InChI is InChI=1S/C5H5N3/c1-2-6-4-8-5-7-3-1/h1-5H/b2-1-,3-1-,6-2-,6-4-,7-3-,7-5-,8-4-,8-5-.
What are the key properties of (7Z)-1,3,5-triazocine?
(7Z)-1,3,5-triazocine has a molecular weight of 107.12 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-1,3,5-triazocine is sourced from PubChem (CID 135084024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).