2-pyridazin-4-yl-5,6,7,8-tetrahydroquinoline

C13H13N3 — CID 161432629

IUPAC2-pyridazin-4-yl-5,6,7,8-tetrahydroquinoline
SMILESc1cc(-c2ccc3c(n2)CCCC3)cnn1
InChIInChI=1S/C13H13N3/c1-2-4-12-10(3-1)5-6-13(16-12)11-7-8-14-15-9-11/h5-9H,1-4H2
InChIKeyQIYPIWJEZUOXMF-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.42
Rot. Bonds1

About 2-pyridazin-4-yl-5,6,7,8-tetrahydroquinoline

2-pyridazin-4-yl-5,6,7,8-tetrahydroquinoline (PubChem CID 161432629) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-pyridazin-4-yl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-pyridazin-4-yl-5,6,7,8-tetrahydroquinoline
PubChem CID161432629
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name2-pyridazin-4-yl-5,6,7,8-tetrahydroquinoline
SMILESc1cc(-c2ccc3c(n2)CCCC3)cnn1
InChIInChI=1S/C13H13N3/c1-2-4-12-10(3-1)5-6-13(16-12)11-7-8-14-15-9-11/h5-9H,1-4H2
InChIKeyQIYPIWJEZUOXMF-UHFFFAOYSA-N
XLogP2.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-4-yl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-pyridazin-4-yl-5,6,7,8-tetrahydroquinoline (CID 161432629) is 2-pyridazin-4-yl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-pyridazin-4-yl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-pyridazin-4-yl-5,6,7,8-tetrahydroquinoline is c1cc(-c2ccc3c(n2)CCCC3)cnn1.
What is the InChIKey of 2-pyridazin-4-yl-5,6,7,8-tetrahydroquinoline?
The InChIKey is QIYPIWJEZUOXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-2-4-12-10(3-1)5-6-13(16-12)11-7-8-14-15-9-11/h5-9H,1-4H2.
What are the key properties of 2-pyridazin-4-yl-5,6,7,8-tetrahydroquinoline?
2-pyridazin-4-yl-5,6,7,8-tetrahydroquinoline has a molecular weight of 211.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-4-yl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 161432629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).