2-(4-amino-2,6-dichlorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile;ethane

C15H16Cl2N4 — CID 142087647

IUPAC2-(4-amino-2,6-dichlorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile;ethane
SMILESCC.Cc1ccc(C(C#N)c2c(Cl)cc(N)cc2Cl)nn1
InChIInChI=1S/C13H10Cl2N4.C2H6/c1-7-2-3-12(19-18-7)9(6-16)13-10(14)4-8(17)5-11(13)15;1-2/h2-5,9H,17H2,1H3;1-2H3
InChIKeyWQZSDQGJGUNGPA-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.36
Rot. Bonds2

About 2-(4-amino-2,6-dichlorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile;ethane

2-(4-amino-2,6-dichlorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile;ethane (PubChem CID 142087647) has the molecular formula C15H16Cl2N4 and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-(4-amino-2,6-dichlorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile;ethane.

Molecular Properties

Compound Name2-(4-amino-2,6-dichlorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile;ethane
PubChem CID142087647
Molecular FormulaC15H16Cl2N4
Molecular Weight323.23 g/mol
Exact Mass322.08
IUPAC Name2-(4-amino-2,6-dichlorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile;ethane
SMILESCC.Cc1ccc(C(C#N)c2c(Cl)cc(N)cc2Cl)nn1
InChIInChI=1S/C13H10Cl2N4.C2H6/c1-7-2-3-12(19-18-7)9(6-16)13-10(14)4-8(17)5-11(13)15;1-2/h2-5,9H,17H2,1H3;1-2H3
InChIKeyWQZSDQGJGUNGPA-UHFFFAOYSA-N
XLogP4.36
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-difluorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile
CID 50878554
2-(4-amino-2,6-dichlorophenyl)-2-(5-chloro-6-propan-2-ylpyrazin-2-yl)acetonitrile
CID 176729206
4-amino-2-chlorobenzonitrile;ethane
CID 144555120
(2R)-2-(6-chloropyridazin-3-yl)-2-(1-methylpyrrol-2-yl)acetonitrile
CID 6934194
1-(6-methylpyridazin-3-yl)prop-2-en-1-amine
CID 130909691
2-(5-amino-2-pyridinyl)-2-(4-methylphenyl)acetonitrile
CID 82080462
2-(3,4-dichlorophenyl)-2-pyridazin-3-ylacetonitrile
CID 12887947
2-(5-amino-2-pyridinyl)-2-(2-methylphenyl)acetonitrile
CID 82080460
(2S)-2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile
CID 736102
2-(4-amino-2-chlorophenyl)-2-thiophen-2-ylacetonitrile
CID 21483195
3-(6-methylpyridazin-3-yl)aniline
CID 69120674
3,5-dichloro-4-(3-methylpyrazol-1-yl)aniline
CID 106890917

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-dichlorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile;ethane?
The IUPAC name of 2-(4-amino-2,6-dichlorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile;ethane (CID 142087647) is 2-(4-amino-2,6-dichlorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile;ethane.
What is the SMILES notation for 2-(4-amino-2,6-dichlorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile;ethane?
The canonical SMILES for 2-(4-amino-2,6-dichlorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile;ethane is CC.Cc1ccc(C(C#N)c2c(Cl)cc(N)cc2Cl)nn1.
What is the InChIKey of 2-(4-amino-2,6-dichlorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile;ethane?
The InChIKey is WQZSDQGJGUNGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4.C2H6/c1-7-2-3-12(19-18-7)9(6-16)13-10(14)4-8(17)5-11(13)15;1-2/h2-5,9H,17H2,1H3;1-2H3.
What are the key properties of 2-(4-amino-2,6-dichlorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile;ethane?
2-(4-amino-2,6-dichlorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile;ethane has a molecular weight of 323.23 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-dichlorophenyl)-2-(6-methylpyridazin-3-yl)acetonitrile;ethane is sourced from PubChem (CID 142087647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).