3-(3,4,5,6-tetrahydropyridazin-3-yl)-1,2,3,4-tetrahydroquinoline

C13H17N3 — CID 90720554

IUPAC3-(3,4,5,6-tetrahydropyridazin-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CC(C1CCCN=N1)CN2
InChIInChI=1S/C13H17N3/c1-2-5-12-10(4-1)8-11(9-14-12)13-6-3-7-15-16-13/h1-2,4-5,11,13-14H,3,6-9H2
InChIKeyCAQAKXSQVVRTCR-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.89
Rot. Bonds1

About 3-(3,4,5,6-tetrahydropyridazin-3-yl)-1,2,3,4-tetrahydroquinoline

3-(3,4,5,6-tetrahydropyridazin-3-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 90720554) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(3,4,5,6-tetrahydropyridazin-3-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-(3,4,5,6-tetrahydropyridazin-3-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID90720554
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-(3,4,5,6-tetrahydropyridazin-3-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CC(C1CCCN=N1)CN2
InChIInChI=1S/C13H17N3/c1-2-5-12-10(4-1)8-11(9-14-12)13-6-3-7-15-16-13/h1-2,4-5,11,13-14H,3,6-9H2
InChIKeyCAQAKXSQVVRTCR-UHFFFAOYSA-N
XLogP2.89
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4,5,6-tetrahydropyridazin-3-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-(3,4,5,6-tetrahydropyridazin-3-yl)-1,2,3,4-tetrahydroquinoline (CID 90720554) is 3-(3,4,5,6-tetrahydropyridazin-3-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-(3,4,5,6-tetrahydropyridazin-3-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-(3,4,5,6-tetrahydropyridazin-3-yl)-1,2,3,4-tetrahydroquinoline is c1ccc2c(c1)CC(C1CCCN=N1)CN2.
What is the InChIKey of 3-(3,4,5,6-tetrahydropyridazin-3-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is CAQAKXSQVVRTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-5-12-10(4-1)8-11(9-14-12)13-6-3-7-15-16-13/h1-2,4-5,11,13-14H,3,6-9H2.
What are the key properties of 3-(3,4,5,6-tetrahydropyridazin-3-yl)-1,2,3,4-tetrahydroquinoline?
3-(3,4,5,6-tetrahydropyridazin-3-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 215.30 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,5,6-tetrahydropyridazin-3-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 90720554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).