(7Z)-7,8-bis(ethenyl)-9-methyl-4,5,9-triaza-3-azanidatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),4,7,11,13-hexaene;tungsten

C16H15N4W- — CID 177166592

IUPAC(7Z)-7,8-bis(ethenyl)-9-methyl-4,5,9-triaza-3-azanidatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),4,7,11,13-hexaene;tungsten
SMILESC=C/C1=C(\C=C)N(C)Cc2ccccc2-c2[n-]nnc21.[W]
InChIInChI=1S/C16H15N4.W/c1-4-12-14(5-2)20(3)10-11-8-6-7-9-13(11)16-15(12)17-19-18-16;/h4-9H,1-2,10H2,3H3;/q-1;/b14-12-;
InChIKeyQABVAURQJJGLGK-CTMPBGLUSA-N
MW447.16 g/mol
LogP2.63
Rot. Bonds2

About (7Z)-7,8-bis(ethenyl)-9-methyl-4,5,9-triaza-3-azanidatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),4,7,11,13-hexaene;tungsten

(7Z)-7,8-bis(ethenyl)-9-methyl-4,5,9-triaza-3-azanidatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),4,7,11,13-hexaene;tungsten (PubChem CID 177166592) has the molecular formula C16H15N4W- and a molecular weight of 447.16 g/mol. Its IUPAC name is (7Z)-7,8-bis(ethenyl)-9-methyl-4,5,9-triaza-3-azanidatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),4,7,11,13-hexaene;tungsten.

Molecular Properties

Compound Name(7Z)-7,8-bis(ethenyl)-9-methyl-4,5,9-triaza-3-azanidatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),4,7,11,13-hexaene;tungsten
PubChem CID177166592
Molecular FormulaC16H15N4W-
Molecular Weight447.16 g/mol
Exact Mass447.08
IUPAC Name(7Z)-7,8-bis(ethenyl)-9-methyl-4,5,9-triaza-3-azanidatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),4,7,11,13-hexaene;tungsten
SMILESC=C/C1=C(\C=C)N(C)Cc2ccccc2-c2[n-]nnc21.[W]
InChIInChI=1S/C16H15N4.W/c1-4-12-14(5-2)20(3)10-11-8-6-7-9-13(11)16-15(12)17-19-18-16;/h4-9H,1-2,10H2,3H3;/q-1;/b14-12-;
InChIKeyQABVAURQJJGLGK-CTMPBGLUSA-N
XLogP2.63
TPSA43.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.16
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7Z)-7,8-bis(ethenyl)-9-methyl-4,5,9-triaza-3-azanidatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),4,7,11,13-hexaene;tungsten with MolForge

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Related Compounds

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(7Z)-7,8-bis(ethenyl)-3,9-dimethyl-3,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),4,7,11,13-hexaene;ethane;propane
CID 170771398
ethane;(11Z)-5-methyl-6H-benzo[c][1]benzazocine-11,12-diamine
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3,11-dimethyl-3,11-diazatetracyclo[11.4.0.02,4.05,10]heptadeca-1(17),2(4),5,7,9,13,15-heptaene;ethane
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Frequently Asked Questions

What is the IUPAC name of (7Z)-7,8-bis(ethenyl)-9-methyl-4,5,9-triaza-3-azanidatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),4,7,11,13-hexaene;tungsten?
The IUPAC name of (7Z)-7,8-bis(ethenyl)-9-methyl-4,5,9-triaza-3-azanidatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),4,7,11,13-hexaene;tungsten (CID 177166592) is (7Z)-7,8-bis(ethenyl)-9-methyl-4,5,9-triaza-3-azanidatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),4,7,11,13-hexaene;tungsten.
What is the SMILES notation for (7Z)-7,8-bis(ethenyl)-9-methyl-4,5,9-triaza-3-azanidatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),4,7,11,13-hexaene;tungsten?
The canonical SMILES for (7Z)-7,8-bis(ethenyl)-9-methyl-4,5,9-triaza-3-azanidatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),4,7,11,13-hexaene;tungsten is C=C/C1=C(\C=C)N(C)Cc2ccccc2-c2[n-]nnc21.[W].
What is the InChIKey of (7Z)-7,8-bis(ethenyl)-9-methyl-4,5,9-triaza-3-azanidatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),4,7,11,13-hexaene;tungsten?
The InChIKey is QABVAURQJJGLGK-CTMPBGLUSA-N. The full InChI is InChI=1S/C16H15N4.W/c1-4-12-14(5-2)20(3)10-11-8-6-7-9-13(11)16-15(12)17-19-18-16;/h4-9H,1-2,10H2,3H3;/q-1;/b14-12-;.
What are the key properties of (7Z)-7,8-bis(ethenyl)-9-methyl-4,5,9-triaza-3-azanidatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),4,7,11,13-hexaene;tungsten?
(7Z)-7,8-bis(ethenyl)-9-methyl-4,5,9-triaza-3-azanidatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),4,7,11,13-hexaene;tungsten has a molecular weight of 447.16 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7,8-bis(ethenyl)-9-methyl-4,5,9-triaza-3-azanidatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),4,7,11,13-hexaene;tungsten is sourced from PubChem (CID 177166592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).