2-(4-amino-2,6-dichlorophenyl)-2-(5-chloro-6-propan-2-ylpyrazin-2-yl)acetonitrile

C15H13Cl3N4 — CID 176729206

IUPAC2-(4-amino-2,6-dichlorophenyl)-2-(5-chloro-6-propan-2-ylpyrazin-2-yl)acetonitrile
SMILESCC(C)c1nc(C(C#N)c2c(Cl)cc(N)cc2Cl)cnc1Cl
InChIInChI=1S/C15H13Cl3N4/c1-7(2)14-15(18)21-6-12(22-14)9(5-19)13-10(16)3-8(20)4-11(13)17/h3-4,6-7,9H,20H2,1-2H3
InChIKeyUUTYVAOTMIVRRJ-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.80
Rot. Bonds3

About 2-(4-amino-2,6-dichlorophenyl)-2-(5-chloro-6-propan-2-ylpyrazin-2-yl)acetonitrile

2-(4-amino-2,6-dichlorophenyl)-2-(5-chloro-6-propan-2-ylpyrazin-2-yl)acetonitrile (PubChem CID 176729206) has the molecular formula C15H13Cl3N4 and a molecular weight of 355.66 g/mol. Its IUPAC name is 2-(4-amino-2,6-dichlorophenyl)-2-(5-chloro-6-propan-2-ylpyrazin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-amino-2,6-dichlorophenyl)-2-(5-chloro-6-propan-2-ylpyrazin-2-yl)acetonitrile
PubChem CID176729206
Molecular FormulaC15H13Cl3N4
Molecular Weight355.66 g/mol
Exact Mass354.02
IUPAC Name2-(4-amino-2,6-dichlorophenyl)-2-(5-chloro-6-propan-2-ylpyrazin-2-yl)acetonitrile
SMILESCC(C)c1nc(C(C#N)c2c(Cl)cc(N)cc2Cl)cnc1Cl
InChIInChI=1S/C15H13Cl3N4/c1-7(2)14-15(18)21-6-12(22-14)9(5-19)13-10(16)3-8(20)4-11(13)17/h3-4,6-7,9H,20H2,1-2H3
InChIKeyUUTYVAOTMIVRRJ-UHFFFAOYSA-N
XLogP4.80
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-amino-2,6-dichlorophenyl)-2-(5-chloro-6-propan-2-ylpyrazin-2-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-dichlorophenyl)-2-(5-chloro-6-propan-2-ylpyrazin-2-yl)acetonitrile?
The IUPAC name of 2-(4-amino-2,6-dichlorophenyl)-2-(5-chloro-6-propan-2-ylpyrazin-2-yl)acetonitrile (CID 176729206) is 2-(4-amino-2,6-dichlorophenyl)-2-(5-chloro-6-propan-2-ylpyrazin-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-amino-2,6-dichlorophenyl)-2-(5-chloro-6-propan-2-ylpyrazin-2-yl)acetonitrile?
The canonical SMILES for 2-(4-amino-2,6-dichlorophenyl)-2-(5-chloro-6-propan-2-ylpyrazin-2-yl)acetonitrile is CC(C)c1nc(C(C#N)c2c(Cl)cc(N)cc2Cl)cnc1Cl.
What is the InChIKey of 2-(4-amino-2,6-dichlorophenyl)-2-(5-chloro-6-propan-2-ylpyrazin-2-yl)acetonitrile?
The InChIKey is UUTYVAOTMIVRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N4/c1-7(2)14-15(18)21-6-12(22-14)9(5-19)13-10(16)3-8(20)4-11(13)17/h3-4,6-7,9H,20H2,1-2H3.
What are the key properties of 2-(4-amino-2,6-dichlorophenyl)-2-(5-chloro-6-propan-2-ylpyrazin-2-yl)acetonitrile?
2-(4-amino-2,6-dichlorophenyl)-2-(5-chloro-6-propan-2-ylpyrazin-2-yl)acetonitrile has a molecular weight of 355.66 g/mol, XLogP of 4.80, 3 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-(5-chloro-6-propan-2-ylpyrazin-2-yl)acetonitrile is sourced from PubChem (CID 176729206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).