2,6-diaza-14,18-diazanidatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene

C20H22N4-2 — CID 122228469

IUPAC2,6-diaza-14,18-diazanidatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene
SMILESC1=CC=C2[N-]CCC[N-]C3=CC=CC=C/C3=N\CCC/N=C/2C=C1
InChIInChI=1S/C20H22N4/c1-3-9-17-18(10-4-1)22-14-8-16-24-20-12-6-2-5-11-19(20)23-15-7-13-21-17/h1-6,9-12H,7-8,13-16H2/q-2/b21-17+,23-19+
InChIKeyHGJOMRGEDGMQPK-BMAQMRFCSA-N
MW318.42 g/mol
LogP4.43
Rot. Bonds

About 2,6-diaza-14,18-diazanidatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene

2,6-diaza-14,18-diazanidatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene (PubChem CID 122228469) has the molecular formula C20H22N4-2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2,6-diaza-14,18-diazanidatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene.

Molecular Properties

Compound Name2,6-diaza-14,18-diazanidatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene
PubChem CID122228469
Molecular FormulaC20H22N4-2
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2,6-diaza-14,18-diazanidatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene
SMILESC1=CC=C2[N-]CCC[N-]C3=CC=CC=C/C3=N\CCC/N=C/2C=C1
InChIInChI=1S/C20H22N4/c1-3-9-17-18(10-4-1)22-14-8-16-24-20-12-6-2-5-11-19(20)23-15-7-13-21-17/h1-6,9-12H,7-8,13-16H2/q-2/b21-17+,23-19+
InChIKeyHGJOMRGEDGMQPK-BMAQMRFCSA-N
XLogP4.43
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-diaza-14,18-diazanidatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene?
The IUPAC name of 2,6-diaza-14,18-diazanidatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene (CID 122228469) is 2,6-diaza-14,18-diazanidatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene.
What is the SMILES notation for 2,6-diaza-14,18-diazanidatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene?
The canonical SMILES for 2,6-diaza-14,18-diazanidatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene is C1=CC=C2[N-]CCC[N-]C3=CC=CC=C/C3=N\CCC/N=C/2C=C1.
What is the InChIKey of 2,6-diaza-14,18-diazanidatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene?
The InChIKey is HGJOMRGEDGMQPK-BMAQMRFCSA-N. The full InChI is InChI=1S/C20H22N4/c1-3-9-17-18(10-4-1)22-14-8-16-24-20-12-6-2-5-11-19(20)23-15-7-13-21-17/h1-6,9-12H,7-8,13-16H2/q-2/b21-17+,23-19+.
What are the key properties of 2,6-diaza-14,18-diazanidatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene?
2,6-diaza-14,18-diazanidatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene has a molecular weight of 318.42 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diaza-14,18-diazanidatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene is sourced from PubChem (CID 122228469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).