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

C20H22Cl2N4 — CID 18315617

IUPAC8-(3,4-dichlorophenyl)-2-methyl-N,N-dipropylpyrido[2,3-d]pyridazin-4-amine
SMILESCCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)c(Cl)c3)nncc12
InChIInChI=1S/C20H22Cl2N4/c1-4-8-26(9-5-2)18-10-13(3)24-20-15(18)12-23-25-19(20)14-6-7-16(21)17(22)11-14/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyTYUZZOSAZAXCCX-UHFFFAOYSA-N
MW389.33 g/mol
LogP5.93
Rot. Bonds6

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

8-(3,4-dichlorophenyl)-2-methyl-N,N-dipropylpyrido[2,3-d]pyridazin-4-amine (PubChem CID 18315617) has the molecular formula C20H22Cl2N4 and a molecular weight of 389.33 g/mol. Its IUPAC name is 8-(3,4-dichlorophenyl)-2-methyl-N,N-dipropylpyrido[2,3-d]pyridazin-4-amine.

Molecular Properties

Compound Name8-(3,4-dichlorophenyl)-2-methyl-N,N-dipropylpyrido[2,3-d]pyridazin-4-amine
PubChem CID18315617
Molecular FormulaC20H22Cl2N4
Molecular Weight389.33 g/mol
Exact Mass388.12
IUPAC Name8-(3,4-dichlorophenyl)-2-methyl-N,N-dipropylpyrido[2,3-d]pyridazin-4-amine
SMILESCCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)c(Cl)c3)nncc12
InChIInChI=1S/C20H22Cl2N4/c1-4-8-26(9-5-2)18-10-13(3)24-20-15(18)12-23-25-19(20)14-6-7-16(21)17(22)11-14/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyTYUZZOSAZAXCCX-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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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dichlorophenyl)-2-methyl-N,N-dipropylpyrido[2,3-d]pyridazin-4-amine?
The IUPAC name of 8-(3,4-dichlorophenyl)-2-methyl-N,N-dipropylpyrido[2,3-d]pyridazin-4-amine (CID 18315617) is 8-(3,4-dichlorophenyl)-2-methyl-N,N-dipropylpyrido[2,3-d]pyridazin-4-amine.
What is the SMILES notation for 8-(3,4-dichlorophenyl)-2-methyl-N,N-dipropylpyrido[2,3-d]pyridazin-4-amine?
The canonical SMILES for 8-(3,4-dichlorophenyl)-2-methyl-N,N-dipropylpyrido[2,3-d]pyridazin-4-amine is CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)c(Cl)c3)nncc12.
What is the InChIKey of 8-(3,4-dichlorophenyl)-2-methyl-N,N-dipropylpyrido[2,3-d]pyridazin-4-amine?
The InChIKey is TYUZZOSAZAXCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4/c1-4-8-26(9-5-2)18-10-13(3)24-20-15(18)12-23-25-19(20)14-6-7-16(21)17(22)11-14/h6-7,10-12H,4-5,8-9H2,1-3H3.
What are the key properties of 8-(3,4-dichlorophenyl)-2-methyl-N,N-dipropylpyrido[2,3-d]pyridazin-4-amine?
8-(3,4-dichlorophenyl)-2-methyl-N,N-dipropylpyrido[2,3-d]pyridazin-4-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 8-(3,4-dichlorophenyl)-2-methyl-N,N-dipropylpyrido[2,3-d]pyridazin-4-amine is sourced from PubChem (CID 18315617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).