3-chloro-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine

C6H8ClN3 — CID 138991078

IUPAC3-chloro-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine
SMILESClc1cnc2n1NCCC2
InChIInChI=1S/C6H8ClN3/c7-5-4-8-6-2-1-3-9-10(5)6/h4,9H,1-3H2
InChIKeyRWBATSIYCHASSB-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.03
Rot. Bonds

About 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine

3-chloro-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine (PubChem CID 138991078) has the molecular formula C6H8ClN3 and a molecular weight of 157.60 g/mol. Its IUPAC name is 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-chloro-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine
PubChem CID138991078
Molecular FormulaC6H8ClN3
Molecular Weight157.60 g/mol
Exact Mass157.04
IUPAC Name3-chloro-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine
SMILESClc1cnc2n1NCCC2
InChIInChI=1S/C6H8ClN3/c7-5-4-8-6-2-1-3-9-10(5)6/h4,9H,1-3H2
InChIKeyRWBATSIYCHASSB-UHFFFAOYSA-N
XLogP1.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine?
The IUPAC name of 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine (CID 138991078) is 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine is Clc1cnc2n1NCCC2.
What is the InChIKey of 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine?
The InChIKey is RWBATSIYCHASSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3/c7-5-4-8-6-2-1-3-9-10(5)6/h4,9H,1-3H2.
What are the key properties of 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine?
3-chloro-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine has a molecular weight of 157.60 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine is sourced from PubChem (CID 138991078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).