N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]pyrazin-2-yl]-N,N-dimethylmethanimidamide

C14H12ClF3N4O — CID 68649356

IUPACN'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]pyrazin-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1cncc(Oc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C14H12ClF3N4O/c1-22(2)8-20-12-6-19-7-13(21-12)23-9-3-4-11(15)10(5-9)14(16,17)18/h3-8H,1-2H3
InChIKeyFLJAGHHWLAHTMF-UHFFFAOYSA-N
MW344.72 g/mol
LogP4.16
Rot. Bonds4

About N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]pyrazin-2-yl]-N,N-dimethylmethanimidamide

N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]pyrazin-2-yl]-N,N-dimethylmethanimidamide (PubChem CID 68649356) has the molecular formula C14H12ClF3N4O and a molecular weight of 344.72 g/mol. Its IUPAC name is N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]pyrazin-2-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]pyrazin-2-yl]-N,N-dimethylmethanimidamide
PubChem CID68649356
Molecular FormulaC14H12ClF3N4O
Molecular Weight344.72 g/mol
Exact Mass344.07
IUPAC NameN'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]pyrazin-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1cncc(Oc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C14H12ClF3N4O/c1-22(2)8-20-12-6-19-7-13(21-12)23-9-3-4-11(15)10(5-9)14(16,17)18/h3-8H,1-2H3
InChIKeyFLJAGHHWLAHTMF-UHFFFAOYSA-N
XLogP4.16
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]pyrazin-2-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]pyrazin-2-yl]-N,N-dimethylmethanimidamide (CID 68649356) is N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]pyrazin-2-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]pyrazin-2-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]pyrazin-2-yl]-N,N-dimethylmethanimidamide is CN(C)C=Nc1cncc(Oc2ccc(Cl)c(C(F)(F)F)c2)n1.
What is the InChIKey of N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]pyrazin-2-yl]-N,N-dimethylmethanimidamide?
The InChIKey is FLJAGHHWLAHTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N4O/c1-22(2)8-20-12-6-19-7-13(21-12)23-9-3-4-11(15)10(5-9)14(16,17)18/h3-8H,1-2H3.
What are the key properties of N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]pyrazin-2-yl]-N,N-dimethylmethanimidamide?
N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]pyrazin-2-yl]-N,N-dimethylmethanimidamide has a molecular weight of 344.72 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[4-chloro-3-(trifluoromethyl)phenoxy]pyrazin-2-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 68649356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).