1,5-diazecine

C8H8N2 — CID 53440348

IUPAC1,5-diazecine
SMILESc1ccncccncc1
InChIInChI=1S/C8H8N2/c1-2-5-9-7-4-8-10-6-3-1/h1-8H/b2-1-,3-1+,5-2-,6-3+,7-4+,8-4-,9-5-,9-7+,10-6-,10-8-
InChIKeyOEHVAWOWEDMUII-MWUGEMJESA-N
MW132.17 g/mol
LogP1.60
Rot. Bonds

About 1,5-diazecine

1,5-diazecine (PubChem CID 53440348) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 1,5-diazecine.

Molecular Properties

Compound Name1,5-diazecine
PubChem CID53440348
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name1,5-diazecine
SMILESc1ccncccncc1
InChIInChI=1S/C8H8N2/c1-2-5-9-7-4-8-10-6-3-1/h1-8H/b2-1-,3-1+,5-2-,6-3+,7-4+,8-4-,9-5-,9-7+,10-6-,10-8-
InChIKeyOEHVAWOWEDMUII-MWUGEMJESA-N
XLogP1.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

pyridine
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iridium(3+);tris(pyridine)
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CID 14201778
bis(pyridine);hydrochloride
CID 68793121
CID 70045472
CID 70045472
pyridine bromide
CID 19422742
bis(pyridine);trihydroiodide
CID 175714675

Frequently Asked Questions

What is the IUPAC name of 1,5-diazecine?
The IUPAC name of 1,5-diazecine (CID 53440348) is 1,5-diazecine.
What is the SMILES notation for 1,5-diazecine?
The canonical SMILES for 1,5-diazecine is c1ccncccncc1.
What is the InChIKey of 1,5-diazecine?
The InChIKey is OEHVAWOWEDMUII-MWUGEMJESA-N. The full InChI is InChI=1S/C8H8N2/c1-2-5-9-7-4-8-10-6-3-1/h1-8H/b2-1-,3-1+,5-2-,6-3+,7-4+,8-4-,9-5-,9-7+,10-6-,10-8-.
What are the key properties of 1,5-diazecine?
1,5-diazecine has a molecular weight of 132.17 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diazecine is sourced from PubChem (CID 53440348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).