6-pyridazin-3-yl-1,2,3,4-tetrahydro-1,5-naphthyridine

C12H12N4 — CID 142484556

IUPAC6-pyridazin-3-yl-1,2,3,4-tetrahydro-1,5-naphthyridine
SMILESc1cnnc(-c2ccc3c(n2)CCCN3)c1
InChIInChI=1S/C12H12N4/c1-3-10-9(13-7-1)5-6-11(15-10)12-4-2-8-14-16-12/h2,4-6,8,13H,1,3,7H2
InChIKeyIZPVIMWAXYQJKY-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.90
Rot. Bonds1

About 6-pyridazin-3-yl-1,2,3,4-tetrahydro-1,5-naphthyridine

6-pyridazin-3-yl-1,2,3,4-tetrahydro-1,5-naphthyridine (PubChem CID 142484556) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 6-pyridazin-3-yl-1,2,3,4-tetrahydro-1,5-naphthyridine.

Molecular Properties

Compound Name6-pyridazin-3-yl-1,2,3,4-tetrahydro-1,5-naphthyridine
PubChem CID142484556
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name6-pyridazin-3-yl-1,2,3,4-tetrahydro-1,5-naphthyridine
SMILESc1cnnc(-c2ccc3c(n2)CCCN3)c1
InChIInChI=1S/C12H12N4/c1-3-10-9(13-7-1)5-6-11(15-10)12-4-2-8-14-16-12/h2,4-6,8,13H,1,3,7H2
InChIKeyIZPVIMWAXYQJKY-UHFFFAOYSA-N
XLogP1.90
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pyridazin-3-yl-1,2,3,4-tetrahydro-1,5-naphthyridine?
The IUPAC name of 6-pyridazin-3-yl-1,2,3,4-tetrahydro-1,5-naphthyridine (CID 142484556) is 6-pyridazin-3-yl-1,2,3,4-tetrahydro-1,5-naphthyridine.
What is the SMILES notation for 6-pyridazin-3-yl-1,2,3,4-tetrahydro-1,5-naphthyridine?
The canonical SMILES for 6-pyridazin-3-yl-1,2,3,4-tetrahydro-1,5-naphthyridine is c1cnnc(-c2ccc3c(n2)CCCN3)c1.
What is the InChIKey of 6-pyridazin-3-yl-1,2,3,4-tetrahydro-1,5-naphthyridine?
The InChIKey is IZPVIMWAXYQJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-3-10-9(13-7-1)5-6-11(15-10)12-4-2-8-14-16-12/h2,4-6,8,13H,1,3,7H2.
What are the key properties of 6-pyridazin-3-yl-1,2,3,4-tetrahydro-1,5-naphthyridine?
6-pyridazin-3-yl-1,2,3,4-tetrahydro-1,5-naphthyridine has a molecular weight of 212.26 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridazin-3-yl-1,2,3,4-tetrahydro-1,5-naphthyridine is sourced from PubChem (CID 142484556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).