3-chloro-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;hydrochloride

C7H9Cl2N3 — CID 86346446

IUPAC3-chloro-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;hydrochloride
SMILESCl.Clc1cc2c(nn1)CNCC2
InChIInChI=1S/C7H8ClN3.ClH/c8-7-3-5-1-2-9-4-6(5)10-11-7;/h3,9H,1-2,4H2;1H
InChIKeyHAMPRMYLEAFEMS-UHFFFAOYSA-N
MW206.08 g/mol
LogP1.20
Rot. Bonds

About 3-chloro-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;hydrochloride

3-chloro-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;hydrochloride (PubChem CID 86346446) has the molecular formula C7H9Cl2N3 and a molecular weight of 206.08 g/mol. Its IUPAC name is 3-chloro-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;hydrochloride.

Molecular Properties

Compound Name3-chloro-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;hydrochloride
PubChem CID86346446
Molecular FormulaC7H9Cl2N3
Molecular Weight206.08 g/mol
Exact Mass205.02
IUPAC Name3-chloro-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;hydrochloride
SMILESCl.Clc1cc2c(nn1)CNCC2
InChIInChI=1S/C7H8ClN3.ClH/c8-7-3-5-1-2-9-4-6(5)10-11-7;/h3,9H,1-2,4H2;1H
InChIKeyHAMPRMYLEAFEMS-UHFFFAOYSA-N
XLogP1.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 51.20
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-tetrahydropyrido[3,4-c]pyridazine;hydrochloride?
The IUPAC name of 3-chloro-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;hydrochloride (CID 86346446) is 3-chloro-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;hydrochloride.
What is the SMILES notation for 3-chloro-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;hydrochloride?
The canonical SMILES for 3-chloro-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;hydrochloride is Cl.Clc1cc2c(nn1)CNCC2.
What is the InChIKey of 3-chloro-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;hydrochloride?
The InChIKey is HAMPRMYLEAFEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3.ClH/c8-7-3-5-1-2-9-4-6(5)10-11-7;/h3,9H,1-2,4H2;1H.
What are the key properties of 3-chloro-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;hydrochloride?
3-chloro-5,6,7,8-tetrahydropyrido[3,4-c]pyridazine;hydrochloride has a molecular weight of 206.08 g/mol, XLogP of 1.20, 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-tetrahydropyrido[3,4-c]pyridazine;hydrochloride is sourced from PubChem (CID 86346446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).