3-chloro-4,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid

C10H12ClN3O2 — CID 23464678

IUPAC3-chloro-4,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid
SMILESCc1c(Cl)nnc2c1CN(C(=O)O)CC2C
InChIInChI=1S/C10H12ClN3O2/c1-5-3-14(10(15)16)4-7-6(2)9(11)13-12-8(5)7/h5H,3-4H2,1-2H3,(H,15,16)
InChIKeyJHRDMEKLEMWGLX-UHFFFAOYSA-N
MW241.68 g/mol
LogP2.04
Rot. Bonds

About 3-chloro-4,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid

3-chloro-4,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid (PubChem CID 23464678) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 3-chloro-4,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid.

Molecular Properties

Compound Name3-chloro-4,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid
PubChem CID23464678
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name3-chloro-4,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid
SMILESCc1c(Cl)nnc2c1CN(C(=O)O)CC2C
InChIInChI=1S/C10H12ClN3O2/c1-5-3-14(10(15)16)4-7-6(2)9(11)13-12-8(5)7/h5H,3-4H2,1-2H3,(H,15,16)
InChIKeyJHRDMEKLEMWGLX-UHFFFAOYSA-N
XLogP2.04
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 52.04
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-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid?
The IUPAC name of 3-chloro-4,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid (CID 23464678) is 3-chloro-4,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid.
What is the SMILES notation for 3-chloro-4,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid?
The canonical SMILES for 3-chloro-4,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid is Cc1c(Cl)nnc2c1CN(C(=O)O)CC2C.
What is the InChIKey of 3-chloro-4,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid?
The InChIKey is JHRDMEKLEMWGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-5-3-14(10(15)16)4-7-6(2)9(11)13-12-8(5)7/h5H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 3-chloro-4,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid?
3-chloro-4,8-dimethyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid has a molecular weight of 241.68 g/mol, XLogP of 2.04, 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-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxylic acid is sourced from PubChem (CID 23464678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).