(6E,8Z,10E)-12H-triazino[1,2-a]diazonine

C10H11N3 — CID 68538399

IUPAC(6E,8Z,10E)-12H-triazino[1,2-a]diazonine
SMILESC1=CN2/C=C/C=C\C=C\CN2N=C1
InChIInChI=1S/C10H11N3/c1-2-4-8-12-9-6-7-11-13(12)10-5-3-1/h1-9H,10H2/b2-1-,5-3+,8-4+
InChIKeySOHJFPNWVLUIIC-BSIJAEHYSA-N
MW173.22 g/mol
LogP1.66
Rot. Bonds

About (6E,8Z,10E)-12H-triazino[1,2-a]diazonine

(6E,8Z,10E)-12H-triazino[1,2-a]diazonine (PubChem CID 68538399) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is (6E,8Z,10E)-12H-triazino[1,2-a]diazonine.

Molecular Properties

Compound Name(6E,8Z,10E)-12H-triazino[1,2-a]diazonine
PubChem CID68538399
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name(6E,8Z,10E)-12H-triazino[1,2-a]diazonine
SMILESC1=CN2/C=C/C=C\C=C\CN2N=C1
InChIInChI=1S/C10H11N3/c1-2-4-8-12-9-6-7-11-13(12)10-5-3-1/h1-9H,10H2/b2-1-,5-3+,8-4+
InChIKeySOHJFPNWVLUIIC-BSIJAEHYSA-N
XLogP1.66
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6E,8Z,10E)-12H-triazino[1,2-a]diazonine?
The IUPAC name of (6E,8Z,10E)-12H-triazino[1,2-a]diazonine (CID 68538399) is (6E,8Z,10E)-12H-triazino[1,2-a]diazonine.
What is the SMILES notation for (6E,8Z,10E)-12H-triazino[1,2-a]diazonine?
The canonical SMILES for (6E,8Z,10E)-12H-triazino[1,2-a]diazonine is C1=CN2/C=C/C=C\C=C\CN2N=C1.
What is the InChIKey of (6E,8Z,10E)-12H-triazino[1,2-a]diazonine?
The InChIKey is SOHJFPNWVLUIIC-BSIJAEHYSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-4-8-12-9-6-7-11-13(12)10-5-3-1/h1-9H,10H2/b2-1-,5-3+,8-4+.
What are the key properties of (6E,8Z,10E)-12H-triazino[1,2-a]diazonine?
(6E,8Z,10E)-12H-triazino[1,2-a]diazonine has a molecular weight of 173.22 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8Z,10E)-12H-triazino[1,2-a]diazonine is sourced from PubChem (CID 68538399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).