5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene

C14H20N4 — CID 69478671

IUPAC5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene
SMILESCC1=C/C(C)=N/C=CNC(C)=C/C(C)=N/C=CN1
InChIInChI=1S/C14H20N4/c1-11-9-12(2)16-7-8-18-14(4)10-13(3)17-6-5-15-11/h5-10,15,18H,1-4H3/b6-5?,8-7?,11-9?,14-10?,16-12+,17-13+
InChIKeyUAKOFIPGNUKVQH-IFKRXZOGSA-N
MW244.34 g/mol
LogP2.85
Rot. Bonds

About 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene

5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene (PubChem CID 69478671) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene.

Molecular Properties

Compound Name5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene
PubChem CID69478671
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene
SMILESCC1=C/C(C)=N/C=CNC(C)=C/C(C)=N/C=CN1
InChIInChI=1S/C14H20N4/c1-11-9-12(2)16-7-8-18-14(4)10-13(3)17-6-5-15-11/h5-10,15,18H,1-4H3/b6-5?,8-7?,11-9?,14-10?,16-12+,17-13+
InChIKeyUAKOFIPGNUKVQH-IFKRXZOGSA-N
XLogP2.85
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene?
The IUPAC name of 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene (CID 69478671) is 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene.
What is the SMILES notation for 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene?
The canonical SMILES for 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene is CC1=C/C(C)=N/C=CNC(C)=C/C(C)=N/C=CN1.
What is the InChIKey of 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene?
The InChIKey is UAKOFIPGNUKVQH-IFKRXZOGSA-N. The full InChI is InChI=1S/C14H20N4/c1-11-9-12(2)16-7-8-18-14(4)10-13(3)17-6-5-15-11/h5-10,15,18H,1-4H3/b6-5?,8-7?,11-9?,14-10?,16-12+,17-13+.
What are the key properties of 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene?
5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene has a molecular weight of 244.34 g/mol, XLogP of 2.85, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,12,14-tetramethyl-1,4,8,11-tetrazacyclotetradeca-2,4,6,9,11,13-hexaene is sourced from PubChem (CID 69478671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).