6-pyridin-3-yl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene

C18H16N4 — CID 138699114

IUPAC6-pyridin-3-yl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
SMILESc1cncc(-c2cnc3cc4c(cc3n2)C2CNCC4C2)c1
InChIInChI=1S/C18H16N4/c1-2-11(7-19-3-1)18-10-21-16-5-14-12-4-13(9-20-8-12)15(14)6-17(16)22-18/h1-3,5-7,10,12-13,20H,4,8-9H2
InChIKeyVNMAJYCPHZDDKR-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.87
Rot. Bonds1

About 6-pyridin-3-yl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene

6-pyridin-3-yl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene (PubChem CID 138699114) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-pyridin-3-yl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene.

Molecular Properties

Compound Name6-pyridin-3-yl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
PubChem CID138699114
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name6-pyridin-3-yl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
SMILESc1cncc(-c2cnc3cc4c(cc3n2)C2CNCC4C2)c1
InChIInChI=1S/C18H16N4/c1-2-11(7-19-3-1)18-10-21-16-5-14-12-4-13(9-20-8-12)15(14)6-17(16)22-18/h1-3,5-7,10,12-13,20H,4,8-9H2
InChIKeyVNMAJYCPHZDDKR-UHFFFAOYSA-N
XLogP2.87
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene?
The IUPAC name of 6-pyridin-3-yl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene (CID 138699114) is 6-pyridin-3-yl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene.
What is the SMILES notation for 6-pyridin-3-yl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene?
The canonical SMILES for 6-pyridin-3-yl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene is c1cncc(-c2cnc3cc4c(cc3n2)C2CNCC4C2)c1.
What is the InChIKey of 6-pyridin-3-yl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene?
The InChIKey is VNMAJYCPHZDDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-2-11(7-19-3-1)18-10-21-16-5-14-12-4-13(9-20-8-12)15(14)6-17(16)22-18/h1-3,5-7,10,12-13,20H,4,8-9H2.
What are the key properties of 6-pyridin-3-yl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene?
6-pyridin-3-yl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene has a molecular weight of 288.35 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene is sourced from PubChem (CID 138699114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).