cycloheptane;3,5-dichloro-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine

C14H21Cl2N3 — CID 162764573

IUPACcycloheptane;3,5-dichloro-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine
SMILESC1CCCCCC1.Clc1cc2c(nn1)NCCC2Cl
InChIInChI=1S/C7H7Cl2N3.C7H14/c8-5-1-2-10-7-4(5)3-6(9)11-12-7;1-2-4-6-7-5-3-1/h3,5H,1-2H2,(H,10,12);1-7H2
InChIKeyMGDMLLOLVGKTLU-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.96
Rot. Bonds

About cycloheptane;3,5-dichloro-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine

cycloheptane;3,5-dichloro-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine (PubChem CID 162764573) has the molecular formula C14H21Cl2N3 and a molecular weight of 302.25 g/mol. Its IUPAC name is cycloheptane;3,5-dichloro-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine.

Molecular Properties

Compound Namecycloheptane;3,5-dichloro-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine
PubChem CID162764573
Molecular FormulaC14H21Cl2N3
Molecular Weight302.25 g/mol
Exact Mass301.11
IUPAC Namecycloheptane;3,5-dichloro-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine
SMILESC1CCCCCC1.Clc1cc2c(nn1)NCCC2Cl
InChIInChI=1S/C7H7Cl2N3.C7H14/c8-5-1-2-10-7-4(5)3-6(9)11-12-7;1-2-4-6-7-5-3-1/h3,5H,1-2H2,(H,10,12);1-7H2
InChIKeyMGDMLLOLVGKTLU-UHFFFAOYSA-N
XLogP4.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cycloheptane;3,5-dichloro-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine?
The IUPAC name of cycloheptane;3,5-dichloro-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine (CID 162764573) is cycloheptane;3,5-dichloro-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine.
What is the SMILES notation for cycloheptane;3,5-dichloro-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine?
The canonical SMILES for cycloheptane;3,5-dichloro-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine is C1CCCCCC1.Clc1cc2c(nn1)NCCC2Cl.
What is the InChIKey of cycloheptane;3,5-dichloro-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine?
The InChIKey is MGDMLLOLVGKTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N3.C7H14/c8-5-1-2-10-7-4(5)3-6(9)11-12-7;1-2-4-6-7-5-3-1/h3,5H,1-2H2,(H,10,12);1-7H2.
What are the key properties of cycloheptane;3,5-dichloro-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine?
cycloheptane;3,5-dichloro-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine has a molecular weight of 302.25 g/mol, XLogP of 4.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptane;3,5-dichloro-5,6,7,8-tetrahydropyrido[2,3-c]pyridazine is sourced from PubChem (CID 162764573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).