11-pyridin-3-yl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one

C15H12N4O — CID 176978343

IUPAC11-pyridin-3-yl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
SMILESO=c1[nH]nc2c3c(cccc13)NC(c1cccnc1)C2
InChIInChI=1S/C15H12N4O/c20-15-10-4-1-5-11-14(10)13(18-19-15)7-12(17-11)9-3-2-6-16-8-9/h1-6,8,12,17H,7H2,(H,19,20)
InChIKeyNZOWJDVAXQMVNH-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.03
Rot. Bonds1

About 11-pyridin-3-yl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one

11-pyridin-3-yl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one (PubChem CID 176978343) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 11-pyridin-3-yl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one.

Molecular Properties

Compound Name11-pyridin-3-yl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
PubChem CID176978343
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name11-pyridin-3-yl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
SMILESO=c1[nH]nc2c3c(cccc13)NC(c1cccnc1)C2
InChIInChI=1S/C15H12N4O/c20-15-10-4-1-5-11-14(10)13(18-19-15)7-12(17-11)9-3-2-6-16-8-9/h1-6,8,12,17H,7H2,(H,19,20)
InChIKeyNZOWJDVAXQMVNH-UHFFFAOYSA-N
XLogP2.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-pyridin-3-yl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?
The IUPAC name of 11-pyridin-3-yl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one (CID 176978343) is 11-pyridin-3-yl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one.
What is the SMILES notation for 11-pyridin-3-yl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?
The canonical SMILES for 11-pyridin-3-yl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one is O=c1[nH]nc2c3c(cccc13)NC(c1cccnc1)C2.
What is the InChIKey of 11-pyridin-3-yl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?
The InChIKey is NZOWJDVAXQMVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c20-15-10-4-1-5-11-14(10)13(18-19-15)7-12(17-11)9-3-2-6-16-8-9/h1-6,8,12,17H,7H2,(H,19,20).
What are the key properties of 11-pyridin-3-yl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one?
11-pyridin-3-yl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one has a molecular weight of 264.29 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-pyridin-3-yl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one is sourced from PubChem (CID 176978343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).