(1R,14R)-6,9,15,18,21,24-hexazatetracyclo[12.10.0.02,7.08,13]tetracosa-2(7),3,5,8(13),9,11-hexaene

C18H24N6 — CID 70256275

IUPAC(1R,14R)-6,9,15,18,21,24-hexazatetracyclo[12.10.0.02,7.08,13]tetracosa-2(7),3,5,8(13),9,11-hexaene
SMILESc1cnc2c(c1)[C@H]1NCCNCCNCCN[C@@H]1c1cccnc1-2
InChIInChI=1S/C18H24N6/c1-3-13-15(21-5-1)16-14(4-2-6-22-16)18-17(13)23-11-9-19-7-8-20-10-12-24-18/h1-6,17-20,23-24H,7-12H2/t17-,18-/m1/s1
InChIKeyAUWBRPVRNXNAFT-QZTJIDSGSA-N
MW324.43 g/mol
LogP0.61
Rot. Bonds

About (1R,14R)-6,9,15,18,21,24-hexazatetracyclo[12.10.0.02,7.08,13]tetracosa-2(7),3,5,8(13),9,11-hexaene

(1R,14R)-6,9,15,18,21,24-hexazatetracyclo[12.10.0.02,7.08,13]tetracosa-2(7),3,5,8(13),9,11-hexaene (PubChem CID 70256275) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is (1R,14R)-6,9,15,18,21,24-hexazatetracyclo[12.10.0.02,7.08,13]tetracosa-2(7),3,5,8(13),9,11-hexaene.

Molecular Properties

Compound Name(1R,14R)-6,9,15,18,21,24-hexazatetracyclo[12.10.0.02,7.08,13]tetracosa-2(7),3,5,8(13),9,11-hexaene
PubChem CID70256275
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name(1R,14R)-6,9,15,18,21,24-hexazatetracyclo[12.10.0.02,7.08,13]tetracosa-2(7),3,5,8(13),9,11-hexaene
SMILESc1cnc2c(c1)[C@H]1NCCNCCNCCN[C@@H]1c1cccnc1-2
InChIInChI=1S/C18H24N6/c1-3-13-15(21-5-1)16-14(4-2-6-22-16)18-17(13)23-11-9-19-7-8-20-10-12-24-18/h1-6,17-20,23-24H,7-12H2/t17-,18-/m1/s1
InChIKeyAUWBRPVRNXNAFT-QZTJIDSGSA-N
XLogP0.61
TPSA73.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (1R,14R)-6,9,15,18,21,24-hexazatetracyclo[12.10.0.02,7.08,13]tetracosa-2(7),3,5,8(13),9,11-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,14R)-6,9,15,18,21,24-hexazatetracyclo[12.10.0.02,7.08,13]tetracosa-2(7),3,5,8(13),9,11-hexaene?
The IUPAC name of (1R,14R)-6,9,15,18,21,24-hexazatetracyclo[12.10.0.02,7.08,13]tetracosa-2(7),3,5,8(13),9,11-hexaene (CID 70256275) is (1R,14R)-6,9,15,18,21,24-hexazatetracyclo[12.10.0.02,7.08,13]tetracosa-2(7),3,5,8(13),9,11-hexaene.
What is the SMILES notation for (1R,14R)-6,9,15,18,21,24-hexazatetracyclo[12.10.0.02,7.08,13]tetracosa-2(7),3,5,8(13),9,11-hexaene?
The canonical SMILES for (1R,14R)-6,9,15,18,21,24-hexazatetracyclo[12.10.0.02,7.08,13]tetracosa-2(7),3,5,8(13),9,11-hexaene is c1cnc2c(c1)[C@H]1NCCNCCNCCN[C@@H]1c1cccnc1-2.
What is the InChIKey of (1R,14R)-6,9,15,18,21,24-hexazatetracyclo[12.10.0.02,7.08,13]tetracosa-2(7),3,5,8(13),9,11-hexaene?
The InChIKey is AUWBRPVRNXNAFT-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H24N6/c1-3-13-15(21-5-1)16-14(4-2-6-22-16)18-17(13)23-11-9-19-7-8-20-10-12-24-18/h1-6,17-20,23-24H,7-12H2/t17-,18-/m1/s1.
What are the key properties of (1R,14R)-6,9,15,18,21,24-hexazatetracyclo[12.10.0.02,7.08,13]tetracosa-2(7),3,5,8(13),9,11-hexaene?
(1R,14R)-6,9,15,18,21,24-hexazatetracyclo[12.10.0.02,7.08,13]tetracosa-2(7),3,5,8(13),9,11-hexaene has a molecular weight of 324.43 g/mol, XLogP of 0.61, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,14R)-6,9,15,18,21,24-hexazatetracyclo[12.10.0.02,7.08,13]tetracosa-2(7),3,5,8(13),9,11-hexaene is sourced from PubChem (CID 70256275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).