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

C9H8F6N4 — CID 164683151

IUPACN'-[3,5-bis(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ncc(C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C9H8F6N4/c1-19(2)4-17-7-6(9(13,14)15)18-5(3-16-7)8(10,11)12/h3-4H,1-2H3/b17-4+
InChIKeyXCTVFOQKJGFSTR-HAVNEIBRSA-N
MW286.18 g/mol
LogP2.74
Rot. Bonds2

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

N'-[3,5-bis(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide (PubChem CID 164683151) has the molecular formula C9H8F6N4 and a molecular weight of 286.18 g/mol. Its IUPAC name is N'-[3,5-bis(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[3,5-bis(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide
PubChem CID164683151
Molecular FormulaC9H8F6N4
Molecular Weight286.18 g/mol
Exact Mass286.07
IUPAC NameN'-[3,5-bis(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ncc(C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C9H8F6N4/c1-19(2)4-17-7-6(9(13,14)15)18-5(3-16-7)8(10,11)12/h3-4H,1-2H3/b17-4+
InChIKeyXCTVFOQKJGFSTR-HAVNEIBRSA-N
XLogP2.74
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 52.74
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

2-Amino-3,5-dimethylpyrazine
CID 2774764
2-Amino-3-methylpyrazine
CID 302284
3,6-Dimethylpyrazin-2-amine
CID 13261500
N,N-diethyl-2-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]ethanamine
CID 49778905
5,6-Dimethylpyrazin-2-amine
CID 222763
N,N,3-Trimethylpyrazin-2-amine
CID 44327689
3-(Diethylamino)pyrazine-2,5-dicarbonitrile
CID 57391054
N,N,3,6-tetramethylpyrazin-2-amine
CID 8009163
6-(Trifluoromethyl)pyrazin-2-amine
CID 13341114
5-(Trifluoromethyl)pyrazin-2-amine
CID 13341115
3-(Trifluoromethyl)pyrazin-2-amine
CID 25069463
3,5-Bis(trifluoromethyl)pyrazin-2-amine
CID 130116246

Frequently Asked Questions

What is the IUPAC name of N'-[3,5-bis(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[3,5-bis(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide (CID 164683151) is N'-[3,5-bis(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[3,5-bis(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[3,5-bis(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1ncc(C(F)(F)F)nc1C(F)(F)F.
What is the InChIKey of N'-[3,5-bis(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide?
The InChIKey is XCTVFOQKJGFSTR-HAVNEIBRSA-N. The full InChI is InChI=1S/C9H8F6N4/c1-19(2)4-17-7-6(9(13,14)15)18-5(3-16-7)8(10,11)12/h3-4H,1-2H3/b17-4+.
What are the key properties of N'-[3,5-bis(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide?
N'-[3,5-bis(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide has a molecular weight of 286.18 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3,5-bis(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 164683151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).