14,14-dimethyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaene

C20H19N3 — CID 15428295

IUPAC14,14-dimethyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaene
SMILESCC1(C)c2cnccc2C=C2c3[nH]c4ccccc4c3CCN21
InChIInChI=1S/C20H19N3/c1-20(2)16-12-21-9-7-13(16)11-18-19-15(8-10-23(18)20)14-5-3-4-6-17(14)22-19/h3-7,9,11-12,22H,8,10H2,1-2H3
InChIKeyHQBHTBBUAGLTFJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.17
Rot. Bonds

About 14,14-dimethyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaene

14,14-dimethyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaene (PubChem CID 15428295) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 14,14-dimethyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaene.

Molecular Properties

Compound Name14,14-dimethyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaene
PubChem CID15428295
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name14,14-dimethyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaene
SMILESCC1(C)c2cnccc2C=C2c3[nH]c4ccccc4c3CCN21
InChIInChI=1S/C20H19N3/c1-20(2)16-12-21-9-7-13(16)11-18-19-15(8-10-23(18)20)14-5-3-4-6-17(14)22-19/h3-7,9,11-12,22H,8,10H2,1-2H3
InChIKeyHQBHTBBUAGLTFJ-UHFFFAOYSA-N
XLogP4.17
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 14,14-dimethyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaene?
The IUPAC name of 14,14-dimethyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaene (CID 15428295) is 14,14-dimethyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaene.
What is the SMILES notation for 14,14-dimethyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaene?
The canonical SMILES for 14,14-dimethyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaene is CC1(C)c2cnccc2C=C2c3[nH]c4ccccc4c3CCN21.
What is the InChIKey of 14,14-dimethyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaene?
The InChIKey is HQBHTBBUAGLTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3/c1-20(2)16-12-21-9-7-13(16)11-18-19-15(8-10-23(18)20)14-5-3-4-6-17(14)22-19/h3-7,9,11-12,22H,8,10H2,1-2H3.
What are the key properties of 14,14-dimethyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaene?
14,14-dimethyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaene has a molecular weight of 301.39 g/mol, XLogP of 4.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaene is sourced from PubChem (CID 15428295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).