(12Z)-5,7,9-trimethyl-5,7,9-triazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),12,14,16-hexaene-4,6-dione

C19H19N3O2 — CID 11688355

IUPAC(12Z)-5,7,9-trimethyl-5,7,9-triazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),12,14,16-hexaene-4,6-dione
SMILESCn1c(=O)c2c3c(n(C)c2n(C)c1=O)C/C=C\C1=CC=CC=C3C1
InChIInChI=1S/C19H19N3O2/c1-20-14-10-6-8-12-7-4-5-9-13(11-12)15(14)16-17(20)21(2)19(24)22(3)18(16)23/h4-9H,10-11H2,1-3H3/b8-6-
InChIKeyRXAAKOZQNWHTHS-VURMDHGXSA-N
MW321.38 g/mol
LogP1.96
Rot. Bonds

About (12Z)-5,7,9-trimethyl-5,7,9-triazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),12,14,16-hexaene-4,6-dione

(12Z)-5,7,9-trimethyl-5,7,9-triazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),12,14,16-hexaene-4,6-dione (PubChem CID 11688355) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (12Z)-5,7,9-trimethyl-5,7,9-triazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),12,14,16-hexaene-4,6-dione.

Molecular Properties

Compound Name(12Z)-5,7,9-trimethyl-5,7,9-triazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),12,14,16-hexaene-4,6-dione
PubChem CID11688355
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(12Z)-5,7,9-trimethyl-5,7,9-triazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),12,14,16-hexaene-4,6-dione
SMILESCn1c(=O)c2c3c(n(C)c2n(C)c1=O)C/C=C\C1=CC=CC=C3C1
InChIInChI=1S/C19H19N3O2/c1-20-14-10-6-8-12-7-4-5-9-13(11-12)15(14)16-17(20)21(2)19(24)22(3)18(16)23/h4-9H,10-11H2,1-3H3/b8-6-
InChIKeyRXAAKOZQNWHTHS-VURMDHGXSA-N
XLogP1.96
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (12Z)-5,7,9-trimethyl-5,7,9-triazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),12,14,16-hexaene-4,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (12Z)-5,7,9-trimethyl-5,7,9-triazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),12,14,16-hexaene-4,6-dione?
The IUPAC name of (12Z)-5,7,9-trimethyl-5,7,9-triazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),12,14,16-hexaene-4,6-dione (CID 11688355) is (12Z)-5,7,9-trimethyl-5,7,9-triazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),12,14,16-hexaene-4,6-dione.
What is the SMILES notation for (12Z)-5,7,9-trimethyl-5,7,9-triazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),12,14,16-hexaene-4,6-dione?
The canonical SMILES for (12Z)-5,7,9-trimethyl-5,7,9-triazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),12,14,16-hexaene-4,6-dione is Cn1c(=O)c2c3c(n(C)c2n(C)c1=O)C/C=C\C1=CC=CC=C3C1.
What is the InChIKey of (12Z)-5,7,9-trimethyl-5,7,9-triazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),12,14,16-hexaene-4,6-dione?
The InChIKey is RXAAKOZQNWHTHS-VURMDHGXSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-20-14-10-6-8-12-7-4-5-9-13(11-12)15(14)16-17(20)21(2)19(24)22(3)18(16)23/h4-9H,10-11H2,1-3H3/b8-6-.
What are the key properties of (12Z)-5,7,9-trimethyl-5,7,9-triazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),12,14,16-hexaene-4,6-dione?
(12Z)-5,7,9-trimethyl-5,7,9-triazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),12,14,16-hexaene-4,6-dione has a molecular weight of 321.38 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (12Z)-5,7,9-trimethyl-5,7,9-triazatetracyclo[12.4.1.02,10.03,8]nonadeca-1(18),2(10),3(8),12,14,16-hexaene-4,6-dione is sourced from PubChem (CID 11688355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).