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

C9H12ClN3 — CID 23464667

IUPAC3-chloro-4,8-dimethyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
SMILESCc1c(Cl)nnc2c1CNCC2C
InChIInChI=1S/C9H12ClN3/c1-5-3-11-4-7-6(2)9(10)13-12-8(5)7/h5,11H,3-4H2,1-2H3
InChIKeyCNPRVLZOICUGTG-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.65
Rot. Bonds

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

3-chloro-4,8-dimethyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine (PubChem CID 23464667) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 3-chloro-4,8-dimethyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine.

Molecular Properties

Compound Name3-chloro-4,8-dimethyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
PubChem CID23464667
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name3-chloro-4,8-dimethyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
SMILESCc1c(Cl)nnc2c1CNCC2C
InChIInChI=1S/C9H12ClN3/c1-5-3-11-4-7-6(2)9(10)13-12-8(5)7/h5,11H,3-4H2,1-2H3
InChIKeyCNPRVLZOICUGTG-UHFFFAOYSA-N
XLogP1.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,8-dimethyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine?
The IUPAC name of 3-chloro-4,8-dimethyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine (CID 23464667) is 3-chloro-4,8-dimethyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine.
What is the SMILES notation for 3-chloro-4,8-dimethyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine?
The canonical SMILES for 3-chloro-4,8-dimethyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine is Cc1c(Cl)nnc2c1CNCC2C.
What is the InChIKey of 3-chloro-4,8-dimethyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine?
The InChIKey is CNPRVLZOICUGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-5-3-11-4-7-6(2)9(10)13-12-8(5)7/h5,11H,3-4H2,1-2H3.
What are the key properties of 3-chloro-4,8-dimethyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine?
3-chloro-4,8-dimethyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine has a molecular weight of 197.67 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,8-dimethyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine is sourced from PubChem (CID 23464667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).