20,21,22-triazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3(22),4,6,9,11,13(21),16(20),17-nonaene

C19H17N3 — CID 11205659

IUPAC20,21,22-triazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3(22),4,6,9,11,13(21),16(20),17-nonaene
SMILESc1cc2nc(c1)Cc1cccc(n1)Cc1cccc(n1)CC2
InChIInChI=1S/C19H17N3/c1-4-14-10-11-15-5-2-7-17(21-15)13-19-9-3-8-18(22-19)12-16(6-1)20-14/h1-9H,10-13H2
InChIKeyDTPYBUBEGDXZKS-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.15
Rot. Bonds

About 20,21,22-triazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3(22),4,6,9,11,13(21),16(20),17-nonaene

20,21,22-triazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3(22),4,6,9,11,13(21),16(20),17-nonaene (PubChem CID 11205659) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 20,21,22-triazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3(22),4,6,9,11,13(21),16(20),17-nonaene.

Molecular Properties

Compound Name20,21,22-triazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3(22),4,6,9,11,13(21),16(20),17-nonaene
PubChem CID11205659
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name20,21,22-triazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3(22),4,6,9,11,13(21),16(20),17-nonaene
SMILESc1cc2nc(c1)Cc1cccc(n1)Cc1cccc(n1)CC2
InChIInChI=1S/C19H17N3/c1-4-14-10-11-15-5-2-7-17(21-15)13-19-9-3-8-18(22-19)12-16(6-1)20-14/h1-9H,10-13H2
InChIKeyDTPYBUBEGDXZKS-UHFFFAOYSA-N
XLogP3.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 20,21,22-triazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3(22),4,6,9,11,13(21),16(20),17-nonaene?
The IUPAC name of 20,21,22-triazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3(22),4,6,9,11,13(21),16(20),17-nonaene (CID 11205659) is 20,21,22-triazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3(22),4,6,9,11,13(21),16(20),17-nonaene.
What is the SMILES notation for 20,21,22-triazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3(22),4,6,9,11,13(21),16(20),17-nonaene?
The canonical SMILES for 20,21,22-triazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3(22),4,6,9,11,13(21),16(20),17-nonaene is c1cc2nc(c1)Cc1cccc(n1)Cc1cccc(n1)CC2.
What is the InChIKey of 20,21,22-triazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3(22),4,6,9,11,13(21),16(20),17-nonaene?
The InChIKey is DTPYBUBEGDXZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c1-4-14-10-11-15-5-2-7-17(21-15)13-19-9-3-8-18(22-19)12-16(6-1)20-14/h1-9H,10-13H2.
What are the key properties of 20,21,22-triazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3(22),4,6,9,11,13(21),16(20),17-nonaene?
20,21,22-triazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3(22),4,6,9,11,13(21),16(20),17-nonaene has a molecular weight of 287.37 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 20,21,22-triazatetracyclo[14.3.1.13,7.19,13]docosa-1(19),3(22),4,6,9,11,13(21),16(20),17-nonaene is sourced from PubChem (CID 11205659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).