5-methyl-8-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

C15H16N4 — CID 155002021

IUPAC5-methyl-8-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESCc1ccc2c(n1)N(c1ccccn1)C1CCN2C1
InChIInChI=1S/C15H16N4/c1-11-5-6-13-15(17-11)19(12-7-9-18(13)10-12)14-4-2-3-8-16-14/h2-6,8,12H,7,9-10H2,1H3
InChIKeyDVGOYCIKIDAWJK-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.52
Rot. Bonds1

About 5-methyl-8-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

5-methyl-8-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 155002021) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-methyl-8-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name5-methyl-8-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
PubChem CID155002021
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name5-methyl-8-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
SMILESCc1ccc2c(n1)N(c1ccccn1)C1CCN2C1
InChIInChI=1S/C15H16N4/c1-11-5-6-13-15(17-11)19(12-7-9-18(13)10-12)14-4-2-3-8-16-14/h2-6,8,12H,7,9-10H2,1H3
InChIKeyDVGOYCIKIDAWJK-UHFFFAOYSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of 5-methyl-8-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (CID 155002021) is 5-methyl-8-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for 5-methyl-8-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for 5-methyl-8-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is Cc1ccc2c(n1)N(c1ccccn1)C1CCN2C1.
What is the InChIKey of 5-methyl-8-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is DVGOYCIKIDAWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11-5-6-13-15(17-11)19(12-7-9-18(13)10-12)14-4-2-3-8-16-14/h2-6,8,12H,7,9-10H2,1H3.
What are the key properties of 5-methyl-8-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?
5-methyl-8-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 252.32 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-pyridin-2-yl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 155002021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).