N'-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide

C8H8ClF3N4 — CID 164682792

IUPACN'-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ncc(C(F)(F)F)nc1Cl
InChIInChI=1S/C8H8ClF3N4/c1-16(2)4-14-7-6(9)15-5(3-13-7)8(10,11)12/h3-4H,1-2H3/b14-4+
InChIKeyDDSMADYBUMBXTD-LNKIKWGQSA-N
MW252.63 g/mol
LogP2.37
Rot. Bonds2

About N'-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide

N'-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide (PubChem CID 164682792) has the molecular formula C8H8ClF3N4 and a molecular weight of 252.63 g/mol. Its IUPAC name is N'-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide
PubChem CID164682792
Molecular FormulaC8H8ClF3N4
Molecular Weight252.63 g/mol
Exact Mass252.04
IUPAC NameN'-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ncc(C(F)(F)F)nc1Cl
InChIInChI=1S/C8H8ClF3N4/c1-16(2)4-14-7-6(9)15-5(3-13-7)8(10,11)12/h3-4H,1-2H3/b14-4+
InChIKeyDDSMADYBUMBXTD-LNKIKWGQSA-N
XLogP2.37
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.63
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N,3-Trimethylpyrazin-2-amine
CID 44327689
N,N,3,6-tetramethylpyrazin-2-amine
CID 8009163
5-Chloro-3-(trifluoromethyl)pyrazin-2-amine
CID 71299184
6-Chloro-5-(trifluoromethyl)pyrazin-2-amine
CID 155822449
3-Chloro-5-(trifluoromethyl)pyrazin-2-amine
CID 72213160
N,N,6-Trimethylpyrazin-2-amine
CID 23273415
N,N-dimethyl-N'-[5-(trifluoromethyl)pyrazin-2-yl]methanimidamide
CID 164682790
N'-[6-chloro-5-(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide
CID 164682874
N,N-dimethyl-N'-[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide
CID 164683015
N'-[3-bromo-5-(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide
CID 164683016
N'-[3,5-bis(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide
CID 164683151
N,N-dimethyl-N'-[6-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide
CID 164683152

Frequently Asked Questions

What is the IUPAC name of N'-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide (CID 164682792) is N'-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1ncc(C(F)(F)F)nc1Cl.
What is the InChIKey of N'-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide?
The InChIKey is DDSMADYBUMBXTD-LNKIKWGQSA-N. The full InChI is InChI=1S/C8H8ClF3N4/c1-16(2)4-14-7-6(9)15-5(3-13-7)8(10,11)12/h3-4H,1-2H3/b14-4+.
What are the key properties of N'-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide?
N'-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide has a molecular weight of 252.63 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 164682792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).