6-[(4-amino-2,6-dichlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,2-dihydropyrazin-3-one

C15H19Cl2N3O — CID 176729189

IUPAC6-[(4-amino-2,6-dichlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,2-dihydropyrazin-3-one
SMILESCC1NC(Cc2c(Cl)cc(N)cc2Cl)=CN(C(C)C)C1=O
InChIInChI=1S/C15H19Cl2N3O/c1-8(2)20-7-11(19-9(3)15(20)21)6-12-13(16)4-10(18)5-14(12)17/h4-5,7-9,19H,6,18H2,1-3H3
InChIKeySWAAOLZAVNNWPW-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.19
Rot. Bonds3

About 6-[(4-amino-2,6-dichlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,2-dihydropyrazin-3-one

6-[(4-amino-2,6-dichlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,2-dihydropyrazin-3-one (PubChem CID 176729189) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 6-[(4-amino-2,6-dichlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,2-dihydropyrazin-3-one.

Molecular Properties

Compound Name6-[(4-amino-2,6-dichlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,2-dihydropyrazin-3-one
PubChem CID176729189
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name6-[(4-amino-2,6-dichlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,2-dihydropyrazin-3-one
SMILESCC1NC(Cc2c(Cl)cc(N)cc2Cl)=CN(C(C)C)C1=O
InChIInChI=1S/C15H19Cl2N3O/c1-8(2)20-7-11(19-9(3)15(20)21)6-12-13(16)4-10(18)5-14(12)17/h4-5,7-9,19H,6,18H2,1-3H3
InChIKeySWAAOLZAVNNWPW-UHFFFAOYSA-N
XLogP3.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-amino-2,6-dichlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,2-dihydropyrazin-3-one?
The IUPAC name of 6-[(4-amino-2,6-dichlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,2-dihydropyrazin-3-one (CID 176729189) is 6-[(4-amino-2,6-dichlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,2-dihydropyrazin-3-one.
What is the SMILES notation for 6-[(4-amino-2,6-dichlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,2-dihydropyrazin-3-one?
The canonical SMILES for 6-[(4-amino-2,6-dichlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,2-dihydropyrazin-3-one is CC1NC(Cc2c(Cl)cc(N)cc2Cl)=CN(C(C)C)C1=O.
What is the InChIKey of 6-[(4-amino-2,6-dichlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,2-dihydropyrazin-3-one?
The InChIKey is SWAAOLZAVNNWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-8(2)20-7-11(19-9(3)15(20)21)6-12-13(16)4-10(18)5-14(12)17/h4-5,7-9,19H,6,18H2,1-3H3.
What are the key properties of 6-[(4-amino-2,6-dichlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,2-dihydropyrazin-3-one?
6-[(4-amino-2,6-dichlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,2-dihydropyrazin-3-one has a molecular weight of 328.24 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-amino-2,6-dichlorophenyl)methyl]-2-methyl-4-propan-2-yl-1,2-dihydropyrazin-3-one is sourced from PubChem (CID 176729189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).