1-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane

C15H16N4 — CID 143810022

IUPAC1-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESc1ccc(-c2ccc(C34CNC(CN3)C4)nn2)cc1
InChIInChI=1S/C15H16N4/c1-2-4-11(5-3-1)13-6-7-14(19-18-13)15-8-12(9-17-15)16-10-15/h1-7,12,16-17H,8-10H2
InChIKeySFNWPODVQHOTHD-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.30
Rot. Bonds2

About 1-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane

1-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 143810022) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID143810022
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name1-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
SMILESc1ccc(-c2ccc(C34CNC(CN3)C4)nn2)cc1
InChIInChI=1S/C15H16N4/c1-2-4-11(5-3-1)13-6-7-14(19-18-13)15-8-12(9-17-15)16-10-15/h1-7,12,16-17H,8-10H2
InChIKeySFNWPODVQHOTHD-UHFFFAOYSA-N
XLogP1.30
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 1-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane (CID 143810022) is 1-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 1-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 1-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane is c1ccc(-c2ccc(C34CNC(CN3)C4)nn2)cc1.
What is the InChIKey of 1-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is SFNWPODVQHOTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-4-11(5-3-1)13-6-7-14(19-18-13)15-8-12(9-17-15)16-10-15/h1-7,12,16-17H,8-10H2.
What are the key properties of 1-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane?
1-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 252.32 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylpyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 143810022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).