1,2,3,4,5,6-hexazacyclotetradeca-2,4,6,8,10,12,14-heptaene

C8H8N6 — CID 91135515

IUPAC1,2,3,4,5,6-hexazacyclotetradeca-2,4,6,8,10,12,14-heptaene
SMILESc1ccccnnnnnnccc1
InChIInChI=1S/C8H8N6/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-8H/b2-1+,3-1-,4-2+,5-3-,6-4-,7-5+,8-6+,9-7+,10-8+,11-9-,12-10-,13-11+,14-12-,14-13+
InChIKeyQCJFFMRHKXBUHQ-XEOWLDKSSA-N
MW188.19 g/mol
LogP0.31
Rot. Bonds

About 1,2,3,4,5,6-hexazacyclotetradeca-2,4,6,8,10,12,14-heptaene

1,2,3,4,5,6-hexazacyclotetradeca-2,4,6,8,10,12,14-heptaene (PubChem CID 91135515) has the molecular formula C8H8N6 and a molecular weight of 188.19 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexazacyclotetradeca-2,4,6,8,10,12,14-heptaene.

Molecular Properties

Compound Name1,2,3,4,5,6-hexazacyclotetradeca-2,4,6,8,10,12,14-heptaene
PubChem CID91135515
Molecular FormulaC8H8N6
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name1,2,3,4,5,6-hexazacyclotetradeca-2,4,6,8,10,12,14-heptaene
SMILESc1ccccnnnnnnccc1
InChIInChI=1S/C8H8N6/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-8H/b2-1+,3-1-,4-2+,5-3-,6-4-,7-5+,8-6+,9-7+,10-8+,11-9-,12-10-,13-11+,14-12-,14-13+
InChIKeyQCJFFMRHKXBUHQ-XEOWLDKSSA-N
XLogP0.31
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexazacyclotetradeca-2,4,6,8,10,12,14-heptaene?
The IUPAC name of 1,2,3,4,5,6-hexazacyclotetradeca-2,4,6,8,10,12,14-heptaene (CID 91135515) is 1,2,3,4,5,6-hexazacyclotetradeca-2,4,6,8,10,12,14-heptaene.
What is the SMILES notation for 1,2,3,4,5,6-hexazacyclotetradeca-2,4,6,8,10,12,14-heptaene?
The canonical SMILES for 1,2,3,4,5,6-hexazacyclotetradeca-2,4,6,8,10,12,14-heptaene is c1ccccnnnnnnccc1.
What is the InChIKey of 1,2,3,4,5,6-hexazacyclotetradeca-2,4,6,8,10,12,14-heptaene?
The InChIKey is QCJFFMRHKXBUHQ-XEOWLDKSSA-N. The full InChI is InChI=1S/C8H8N6/c1-2-4-6-8-10-12-14-13-11-9-7-5-3-1/h1-8H/b2-1+,3-1-,4-2+,5-3-,6-4-,7-5+,8-6+,9-7+,10-8+,11-9-,12-10-,13-11+,14-12-,14-13+.
What are the key properties of 1,2,3,4,5,6-hexazacyclotetradeca-2,4,6,8,10,12,14-heptaene?
1,2,3,4,5,6-hexazacyclotetradeca-2,4,6,8,10,12,14-heptaene has a molecular weight of 188.19 g/mol, XLogP of 0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexazacyclotetradeca-2,4,6,8,10,12,14-heptaene is sourced from PubChem (CID 91135515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).