5-(5-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

C16H18N4 — CID 123879523

IUPAC5-(5-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESCc1cncc(-c2ccc3c(n2)NC2CCCN3C2)c1
InChIInChI=1S/C16H18N4/c1-11-7-12(9-17-8-11)14-4-5-15-16(19-14)18-13-3-2-6-20(15)10-13/h4-5,7-9,13H,2-3,6,10H2,1H3,(H,18,19)
InChIKeyFNRQMBOEAJAWRV-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.85
Rot. Bonds1

About 5-(5-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

5-(5-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (PubChem CID 123879523) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 5-(5-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.

Molecular Properties

Compound Name5-(5-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
PubChem CID123879523
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name5-(5-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
SMILESCc1cncc(-c2ccc3c(n2)NC2CCCN3C2)c1
InChIInChI=1S/C16H18N4/c1-11-7-12(9-17-8-11)14-4-5-15-16(19-14)18-13-3-2-6-20(15)10-13/h4-5,7-9,13H,2-3,6,10H2,1H3,(H,18,19)
InChIKeyFNRQMBOEAJAWRV-UHFFFAOYSA-N
XLogP2.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The IUPAC name of 5-(5-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene (CID 123879523) is 5-(5-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene.
What is the SMILES notation for 5-(5-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The canonical SMILES for 5-(5-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is Cc1cncc(-c2ccc3c(n2)NC2CCCN3C2)c1.
What is the InChIKey of 5-(5-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
The InChIKey is FNRQMBOEAJAWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-7-12(9-17-8-11)14-4-5-15-16(19-14)18-13-3-2-6-20(15)10-13/h4-5,7-9,13H,2-3,6,10H2,1H3,(H,18,19).
What are the key properties of 5-(5-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene?
5-(5-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene has a molecular weight of 266.35 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-3-pyridinyl)-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene is sourced from PubChem (CID 123879523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).