2-[6-amino-4-[(2,6-dichlorophenyl)methyl]-3,5-dihydro-2H-pyrazin-5-yl]ethanimidoyl chloride

C13H15Cl3N4 — CID 123775802

IUPAC2-[6-amino-4-[(2,6-dichlorophenyl)methyl]-3,5-dihydro-2H-pyrazin-5-yl]ethanimidoyl chloride
SMILES[H]/N=C(\Cl)CC1C(N)=NCCN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl3N4/c14-9-2-1-3-10(15)8(9)7-20-5-4-19-13(18)11(20)6-12(16)17/h1-3,11,17H,4-7H2,(H2,18,19)/b17-12-
InChIKeyGOSJKONUAIPKHE-ATVHPVEESA-N
MW333.65 g/mol
LogP3.14
Rot. Bonds4

About 2-[6-amino-4-[(2,6-dichlorophenyl)methyl]-3,5-dihydro-2H-pyrazin-5-yl]ethanimidoyl chloride

2-[6-amino-4-[(2,6-dichlorophenyl)methyl]-3,5-dihydro-2H-pyrazin-5-yl]ethanimidoyl chloride (PubChem CID 123775802) has the molecular formula C13H15Cl3N4 and a molecular weight of 333.65 g/mol. Its IUPAC name is 2-[6-amino-4-[(2,6-dichlorophenyl)methyl]-3,5-dihydro-2H-pyrazin-5-yl]ethanimidoyl chloride.

Molecular Properties

Compound Name2-[6-amino-4-[(2,6-dichlorophenyl)methyl]-3,5-dihydro-2H-pyrazin-5-yl]ethanimidoyl chloride
PubChem CID123775802
Molecular FormulaC13H15Cl3N4
Molecular Weight333.65 g/mol
Exact Mass332.04
IUPAC Name2-[6-amino-4-[(2,6-dichlorophenyl)methyl]-3,5-dihydro-2H-pyrazin-5-yl]ethanimidoyl chloride
SMILES[H]/N=C(\Cl)CC1C(N)=NCCN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl3N4/c14-9-2-1-3-10(15)8(9)7-20-5-4-19-13(18)11(20)6-12(16)17/h1-3,11,17H,4-7H2,(H2,18,19)/b17-12-
InChIKeyGOSJKONUAIPKHE-ATVHPVEESA-N
XLogP3.14
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.65
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(2,6-dichloro-3-fluorophenyl)methyl]-5-[2-imino-2-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine
CID 123700252
2-[1-[(2,6-dichlorophenyl)methyl]-3-oxopiperazin-2-yl]acetohydrazide
CID 2806020
4-[(2,5-dichlorophenyl)methyl]-5-[2-imino-2-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine
CID 123425654
[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 29080623
2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine
CID 102785459
2-(2,6-dichlorophenyl)-N,N-dimethylethanimidamide
CID 63179561
2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzenecarboximidamide
CID 63276142
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55168005
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
(1R,5S)-9-[(2,6-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 162634414
2-(2,6-dichlorophenyl)ethanimidamide chloride
CID 45108783
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 55092410

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-4-[(2,6-dichlorophenyl)methyl]-3,5-dihydro-2H-pyrazin-5-yl]ethanimidoyl chloride?
The IUPAC name of 2-[6-amino-4-[(2,6-dichlorophenyl)methyl]-3,5-dihydro-2H-pyrazin-5-yl]ethanimidoyl chloride (CID 123775802) is 2-[6-amino-4-[(2,6-dichlorophenyl)methyl]-3,5-dihydro-2H-pyrazin-5-yl]ethanimidoyl chloride.
What is the SMILES notation for 2-[6-amino-4-[(2,6-dichlorophenyl)methyl]-3,5-dihydro-2H-pyrazin-5-yl]ethanimidoyl chloride?
The canonical SMILES for 2-[6-amino-4-[(2,6-dichlorophenyl)methyl]-3,5-dihydro-2H-pyrazin-5-yl]ethanimidoyl chloride is [H]/N=C(\Cl)CC1C(N)=NCCN1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[6-amino-4-[(2,6-dichlorophenyl)methyl]-3,5-dihydro-2H-pyrazin-5-yl]ethanimidoyl chloride?
The InChIKey is GOSJKONUAIPKHE-ATVHPVEESA-N. The full InChI is InChI=1S/C13H15Cl3N4/c14-9-2-1-3-10(15)8(9)7-20-5-4-19-13(18)11(20)6-12(16)17/h1-3,11,17H,4-7H2,(H2,18,19)/b17-12-.
What are the key properties of 2-[6-amino-4-[(2,6-dichlorophenyl)methyl]-3,5-dihydro-2H-pyrazin-5-yl]ethanimidoyl chloride?
2-[6-amino-4-[(2,6-dichlorophenyl)methyl]-3,5-dihydro-2H-pyrazin-5-yl]ethanimidoyl chloride has a molecular weight of 333.65 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-4-[(2,6-dichlorophenyl)methyl]-3,5-dihydro-2H-pyrazin-5-yl]ethanimidoyl chloride is sourced from PubChem (CID 123775802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).