4-chloro-8-(2,4-dichlorophenyl)-2-methylpyrimido[4,5-d]pyridazine

C13H7Cl3N4 — CID 22951026

IUPAC4-chloro-8-(2,4-dichlorophenyl)-2-methylpyrimido[4,5-d]pyridazine
SMILESCc1nc(Cl)c2cnnc(-c3ccc(Cl)cc3Cl)c2n1
InChIInChI=1S/C13H7Cl3N4/c1-6-18-11-9(13(16)19-6)5-17-20-12(11)8-3-2-7(14)4-10(8)15/h2-5H,1H3
InChIKeyHRGOUGIOYUQFHD-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.36
Rot. Bonds1

About 4-chloro-8-(2,4-dichlorophenyl)-2-methylpyrimido[4,5-d]pyridazine

4-chloro-8-(2,4-dichlorophenyl)-2-methylpyrimido[4,5-d]pyridazine (PubChem CID 22951026) has the molecular formula C13H7Cl3N4 and a molecular weight of 325.59 g/mol. Its IUPAC name is 4-chloro-8-(2,4-dichlorophenyl)-2-methylpyrimido[4,5-d]pyridazine.

Molecular Properties

Compound Name4-chloro-8-(2,4-dichlorophenyl)-2-methylpyrimido[4,5-d]pyridazine
PubChem CID22951026
Molecular FormulaC13H7Cl3N4
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC Name4-chloro-8-(2,4-dichlorophenyl)-2-methylpyrimido[4,5-d]pyridazine
SMILESCc1nc(Cl)c2cnnc(-c3ccc(Cl)cc3Cl)c2n1
InChIInChI=1S/C13H7Cl3N4/c1-6-18-11-9(13(16)19-6)5-17-20-12(11)8-3-2-7(14)4-10(8)15/h2-5H,1H3
InChIKeyHRGOUGIOYUQFHD-UHFFFAOYSA-N
XLogP4.36
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-dichlorophenyl)-3-methylpyridazine
CID 11958263
2-(2,4-dichlorophenyl)-3-fluoro-6-methylpyridine
CID 170837737
2-(2,4-dichlorophenyl)-3,5-dimethylpyridine
CID 12513322
2-chloro-5-(2,4-dichlorophenyl)-6-methoxy-3-methylpyrazine
CID 46177844
7-bromo-4-chloro-2-(2,4-dichlorophenyl)-8-methylquinazoline
CID 114591566
4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine
CID 80975712
6-chloro-2,3-bis(2,4-dichlorophenyl)pyridine
CID 133088206
3-(2,4-dichlorophenyl)-2,5-dimethyl-1-oxidopyrazin-1-ium
CID 22147291
1-(4-chloro-2-methoxyphenyl)pyrido[3,4-d]pyridazine
CID 175937702
4-(2,4-dichlorophenyl)-6-methyl-N,N-dipropylpyrido[3,2-c]pyridazin-8-amine
CID 22951007
6-(2,4-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-amine
CID 12904746
2-(2,4-dichlorophenyl)-3-methylimidazo[1,2-a]pyridine;ethane
CID 155716211

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-(2,4-dichlorophenyl)-2-methylpyrimido[4,5-d]pyridazine?
The IUPAC name of 4-chloro-8-(2,4-dichlorophenyl)-2-methylpyrimido[4,5-d]pyridazine (CID 22951026) is 4-chloro-8-(2,4-dichlorophenyl)-2-methylpyrimido[4,5-d]pyridazine.
What is the SMILES notation for 4-chloro-8-(2,4-dichlorophenyl)-2-methylpyrimido[4,5-d]pyridazine?
The canonical SMILES for 4-chloro-8-(2,4-dichlorophenyl)-2-methylpyrimido[4,5-d]pyridazine is Cc1nc(Cl)c2cnnc(-c3ccc(Cl)cc3Cl)c2n1.
What is the InChIKey of 4-chloro-8-(2,4-dichlorophenyl)-2-methylpyrimido[4,5-d]pyridazine?
The InChIKey is HRGOUGIOYUQFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N4/c1-6-18-11-9(13(16)19-6)5-17-20-12(11)8-3-2-7(14)4-10(8)15/h2-5H,1H3.
What are the key properties of 4-chloro-8-(2,4-dichlorophenyl)-2-methylpyrimido[4,5-d]pyridazine?
4-chloro-8-(2,4-dichlorophenyl)-2-methylpyrimido[4,5-d]pyridazine has a molecular weight of 325.59 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-(2,4-dichlorophenyl)-2-methylpyrimido[4,5-d]pyridazine is sourced from PubChem (CID 22951026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).