3-chloro-N-[1-(4-fluorophenyl)ethylideneamino]pyrazin-2-amine

C12H10ClFN4 — CID 2842160

IUPAC3-chloro-N-[1-(4-fluorophenyl)ethylideneamino]pyrazin-2-amine
SMILESCC(=NNc1nccnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C12H10ClFN4/c1-8(9-2-4-10(14)5-3-9)17-18-12-11(13)15-6-7-16-12/h2-7H,1H3,(H,16,18)
InChIKeyXXJMCONSPXPKAA-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.11
Rot. Bonds3

About 3-chloro-N-[1-(4-fluorophenyl)ethylideneamino]pyrazin-2-amine

3-chloro-N-[1-(4-fluorophenyl)ethylideneamino]pyrazin-2-amine (PubChem CID 2842160) has the molecular formula C12H10ClFN4 and a molecular weight of 264.69 g/mol. Its IUPAC name is 3-chloro-N-[1-(4-fluorophenyl)ethylideneamino]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(4-fluorophenyl)ethylideneamino]pyrazin-2-amine
PubChem CID2842160
Molecular FormulaC12H10ClFN4
Molecular Weight264.69 g/mol
Exact Mass264.06
IUPAC Name3-chloro-N-[1-(4-fluorophenyl)ethylideneamino]pyrazin-2-amine
SMILESCC(=NNc1nccnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C12H10ClFN4/c1-8(9-2-4-10(14)5-3-9)17-18-12-11(13)15-6-7-16-12/h2-7H,1H3,(H,16,18)
InChIKeyXXJMCONSPXPKAA-UHFFFAOYSA-N
XLogP3.11
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-N-[(3-chloropyrazin-2-yl)amino]-C-methylcarbonimidoyl]-2-methylphenol
CID 136831565
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine
CID 6145584
6-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methylpyrimidin-4-amine
CID 2842007
6-chloro-2-N-[1-(4-fluorophenyl)ethylideneamino]pyrimidine-2,4-diamine
CID 2842124
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6022107
3,5-dichloro-N-[(Z)-1-pyridin-4-ylethylideneamino]pyridin-2-amine
CID 7987811
4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate
CID 7761403
4-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-6-phenylpyrimidin-2-amine
CID 7451972
2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 4079235
[(E)-1-(4-fluorophenyl)ethylideneamino]thiourea
CID 5397680
N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 2848311
N-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide
CID 5112847

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(4-fluorophenyl)ethylideneamino]pyrazin-2-amine?
The IUPAC name of 3-chloro-N-[1-(4-fluorophenyl)ethylideneamino]pyrazin-2-amine (CID 2842160) is 3-chloro-N-[1-(4-fluorophenyl)ethylideneamino]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-[1-(4-fluorophenyl)ethylideneamino]pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-[1-(4-fluorophenyl)ethylideneamino]pyrazin-2-amine is CC(=NNc1nccnc1Cl)c1ccc(F)cc1.
What is the InChIKey of 3-chloro-N-[1-(4-fluorophenyl)ethylideneamino]pyrazin-2-amine?
The InChIKey is XXJMCONSPXPKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN4/c1-8(9-2-4-10(14)5-3-9)17-18-12-11(13)15-6-7-16-12/h2-7H,1H3,(H,16,18).
What are the key properties of 3-chloro-N-[1-(4-fluorophenyl)ethylideneamino]pyrazin-2-amine?
3-chloro-N-[1-(4-fluorophenyl)ethylideneamino]pyrazin-2-amine has a molecular weight of 264.69 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(4-fluorophenyl)ethylideneamino]pyrazin-2-amine is sourced from PubChem (CID 2842160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).