1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene

C10H12N4 — CID 71360552

IUPAC1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene
SMILESC1=CNC=C/N=C/C=CNC=C/N=C/1
InChIInChI=1S/C10H12N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h1-11,14H/b3-1?,6-2?,9-7?,10-8?,12-4+,13-5+
InChIKeyHGRYNRZIFBMWDF-VDVRJGMKSA-N
MW188.23 g/mol
LogP1.29
Rot. Bonds

About 1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene

1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene (PubChem CID 71360552) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene.

Molecular Properties

Compound Name1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene
PubChem CID71360552
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene
SMILESC1=CNC=C/N=C/C=CNC=C/N=C/1
InChIInChI=1S/C10H12N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h1-11,14H/b3-1?,6-2?,9-7?,10-8?,12-4+,13-5+
InChIKeyHGRYNRZIFBMWDF-VDVRJGMKSA-N
XLogP1.29
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene?
The IUPAC name of 1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene (CID 71360552) is 1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene.
What is the SMILES notation for 1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene?
The canonical SMILES for 1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene is C1=CNC=C/N=C/C=CNC=C/N=C/1.
What is the InChIKey of 1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene?
The InChIKey is HGRYNRZIFBMWDF-VDVRJGMKSA-N. The full InChI is InChI=1S/C10H12N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h1-11,14H/b3-1?,6-2?,9-7?,10-8?,12-4+,13-5+.
What are the key properties of 1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene?
1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene has a molecular weight of 188.23 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene is sourced from PubChem (CID 71360552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).