4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C15H10N4 — CID 44548154

IUPAC4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1cncc(-c2cc3c(cn2)[nH]c2ncccc23)c1
InChIInChI=1S/C15H10N4/c1-3-10(8-16-5-1)13-7-12-11-4-2-6-17-15(11)19-14(12)9-18-13/h1-9H,(H,17,19)
InChIKeyBSOGMLLOWDWVAL-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.17
Rot. Bonds1

About 4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 44548154) has the molecular formula C15H10N4 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID44548154
Molecular FormulaC15H10N4
Molecular Weight246.27 g/mol
Exact Mass246.09
IUPAC Name4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1cncc(-c2cc3c(cn2)[nH]c2ncccc23)c1
InChIInChI=1S/C15H10N4/c1-3-10(8-16-5-1)13-7-12-11-4-2-6-17-15(11)19-14(12)9-18-13/h1-9H,(H,17,19)
InChIKeyBSOGMLLOWDWVAL-UHFFFAOYSA-N
XLogP3.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 44548154) is 4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is c1cncc(-c2cc3c(cn2)[nH]c2ncccc23)c1.
What is the InChIKey of 4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is BSOGMLLOWDWVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4/c1-3-10(8-16-5-1)13-7-12-11-4-2-6-17-15(11)19-14(12)9-18-13/h1-9H,(H,17,19).
What are the key properties of 4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 246.27 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 44548154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).