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

C11H11N3 — CID 87490258

IUPAC(6E,8Z,10E,12Z)-triazino[1,2-a]diazecine
SMILESC1=CN2/C=C/C=C\C=C\C=C/N2N=C1
InChIInChI=1S/C11H11N3/c1-2-4-6-11-14-12-8-7-10-13(14)9-5-3-1/h1-11H/b3-1-,4-2+,9-5+,11-6-
InChIKeyKGGGVNREWRLFBI-AXPAKATFSA-N
MW185.23 g/mol
LogP2.17
Rot. Bonds

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

(6E,8Z,10E,12Z)-triazino[1,2-a]diazecine (PubChem CID 87490258) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is (6E,8Z,10E,12Z)-triazino[1,2-a]diazecine.

Molecular Properties

Compound Name(6E,8Z,10E,12Z)-triazino[1,2-a]diazecine
PubChem CID87490258
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name(6E,8Z,10E,12Z)-triazino[1,2-a]diazecine
SMILESC1=CN2/C=C/C=C\C=C\C=C/N2N=C1
InChIInChI=1S/C11H11N3/c1-2-4-6-11-14-12-8-7-10-13(14)9-5-3-1/h1-11H/b3-1-,4-2+,9-5+,11-6-
InChIKeyKGGGVNREWRLFBI-AXPAKATFSA-N
XLogP2.17
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6E,8Z,10E,12Z)-triazino[1,2-a]diazecine?
The IUPAC name of (6E,8Z,10E,12Z)-triazino[1,2-a]diazecine (CID 87490258) is (6E,8Z,10E,12Z)-triazino[1,2-a]diazecine.
What is the SMILES notation for (6E,8Z,10E,12Z)-triazino[1,2-a]diazecine?
The canonical SMILES for (6E,8Z,10E,12Z)-triazino[1,2-a]diazecine is C1=CN2/C=C/C=C\C=C\C=C/N2N=C1.
What is the InChIKey of (6E,8Z,10E,12Z)-triazino[1,2-a]diazecine?
The InChIKey is KGGGVNREWRLFBI-AXPAKATFSA-N. The full InChI is InChI=1S/C11H11N3/c1-2-4-6-11-14-12-8-7-10-13(14)9-5-3-1/h1-11H/b3-1-,4-2+,9-5+,11-6-.
What are the key properties of (6E,8Z,10E,12Z)-triazino[1,2-a]diazecine?
(6E,8Z,10E,12Z)-triazino[1,2-a]diazecine has a molecular weight of 185.23 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8Z,10E,12Z)-triazino[1,2-a]diazecine is sourced from PubChem (CID 87490258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).