4-(2,4-dichlorophenyl)-6-methyl-N,N-dipropylpyrido[3,2-c]pyridazin-8-amine

C20H22Cl2N4 — CID 22951007

IUPAC4-(2,4-dichlorophenyl)-6-methyl-N,N-dipropylpyrido[3,2-c]pyridazin-8-amine
SMILESCCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)cnnc12
InChIInChI=1S/C20H22Cl2N4/c1-4-8-26(9-5-2)18-10-13(3)24-19-16(12-23-25-20(18)19)15-7-6-14(21)11-17(15)22/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyYEXTVGDWIZYPCH-UHFFFAOYSA-N
MW389.33 g/mol
LogP5.93
Rot. Bonds6

About 4-(2,4-dichlorophenyl)-6-methyl-N,N-dipropylpyrido[3,2-c]pyridazin-8-amine

4-(2,4-dichlorophenyl)-6-methyl-N,N-dipropylpyrido[3,2-c]pyridazin-8-amine (PubChem CID 22951007) has the molecular formula C20H22Cl2N4 and a molecular weight of 389.33 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-6-methyl-N,N-dipropylpyrido[3,2-c]pyridazin-8-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-6-methyl-N,N-dipropylpyrido[3,2-c]pyridazin-8-amine
PubChem CID22951007
Molecular FormulaC20H22Cl2N4
Molecular Weight389.33 g/mol
Exact Mass388.12
IUPAC Name4-(2,4-dichlorophenyl)-6-methyl-N,N-dipropylpyrido[3,2-c]pyridazin-8-amine
SMILESCCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)cnnc12
InChIInChI=1S/C20H22Cl2N4/c1-4-8-26(9-5-2)18-10-13(3)24-19-16(12-23-25-20(18)19)15-7-6-14(21)11-17(15)22/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyYEXTVGDWIZYPCH-UHFFFAOYSA-N
XLogP5.93
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.33
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3,4-dichlorophenyl)-2-methyl-N,N-dipropylpyrido[2,3-d]pyridazin-4-amine
CID 18315617
5-(2,4-dichlorophenyl)-3-methylpyridazine
CID 11958263
7-(2,4-dichlorophenyl)-5-methyl-N,N-dipropylpyrrolo[3,2-d]pyrimidin-4-amine
CID 18380188
8-(2,4-dichlorophenyl)-2,7-dimethyl-N,N-dipropylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 10715520
5-N-(5-chloro-2-methylphenyl)-3-N,3-N-dipropyl-1,2,4-triazine-3,5-diamine
CID 112960958
4-chloro-8-(2,4-dichlorophenyl)-2-methylpyrimido[4,5-d]pyridazine
CID 22951026
5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline
CID 114847371
3-(2,4-dichlorophenyl)-5-ethyl-6-(4-methylphenyl)-1,2,4-triazine
CID 6405156
2-chloro-4-methyl-N,N-dipropylaniline
CID 142078199
7-(2,4-dichlorophenyl)-2-hexan-3-yl-10-methyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one
CID 25169992
6-(2,4-dichlorophenyl)-3-methylsulfonyl-1,2,4-triazine
CID 10924717
4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine
CID 80975712

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-6-methyl-N,N-dipropylpyrido[3,2-c]pyridazin-8-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-6-methyl-N,N-dipropylpyrido[3,2-c]pyridazin-8-amine (CID 22951007) is 4-(2,4-dichlorophenyl)-6-methyl-N,N-dipropylpyrido[3,2-c]pyridazin-8-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-6-methyl-N,N-dipropylpyrido[3,2-c]pyridazin-8-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-6-methyl-N,N-dipropylpyrido[3,2-c]pyridazin-8-amine is CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)cnnc12.
What is the InChIKey of 4-(2,4-dichlorophenyl)-6-methyl-N,N-dipropylpyrido[3,2-c]pyridazin-8-amine?
The InChIKey is YEXTVGDWIZYPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4/c1-4-8-26(9-5-2)18-10-13(3)24-19-16(12-23-25-20(18)19)15-7-6-14(21)11-17(15)22/h6-7,10-12H,4-5,8-9H2,1-3H3.
What are the key properties of 4-(2,4-dichlorophenyl)-6-methyl-N,N-dipropylpyrido[3,2-c]pyridazin-8-amine?
4-(2,4-dichlorophenyl)-6-methyl-N,N-dipropylpyrido[3,2-c]pyridazin-8-amine has a molecular weight of 389.33 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-6-methyl-N,N-dipropylpyrido[3,2-c]pyridazin-8-amine is sourced from PubChem (CID 22951007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).