N,N-dimethyl-N'-[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide

C9H11F3N4 — CID 164683015

IUPACN,N-dimethyl-N'-[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide
SMILESCc1nc(C(F)(F)F)cnc1/N=C/N(C)C
InChIInChI=1S/C9H11F3N4/c1-6-8(14-5-16(2)3)13-4-7(15-6)9(10,11)12/h4-5H,1-3H3/b14-5+
InChIKeyWPSOVBLXSSVVLY-LHHJGKSTSA-N
MW232.21 g/mol
LogP2.03
Rot. Bonds2

About N,N-dimethyl-N'-[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide

N,N-dimethyl-N'-[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide (PubChem CID 164683015) has the molecular formula C9H11F3N4 and a molecular weight of 232.21 g/mol. Its IUPAC name is N,N-dimethyl-N'-[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide
PubChem CID164683015
Molecular FormulaC9H11F3N4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC NameN,N-dimethyl-N'-[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide
SMILESCc1nc(C(F)(F)F)cnc1/N=C/N(C)C
InChIInChI=1S/C9H11F3N4/c1-6-8(14-5-16(2)3)13-4-7(15-6)9(10,11)12/h4-5H,1-3H3/b14-5+
InChIKeyWPSOVBLXSSVVLY-LHHJGKSTSA-N
XLogP2.03
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.03
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

Modaline
CID 17860
2-Amino-3,5-dimethylpyrazine
CID 2774764
5-Methylpyrazin-2-amine
CID 313215
2-Amino-6-methylpyrazine
CID 12236939
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,3-Dimethylpyrazin-2-amine
CID 44327445
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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide?
The IUPAC name of N,N-dimethyl-N'-[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide (CID 164683015) is N,N-dimethyl-N'-[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide is Cc1nc(C(F)(F)F)cnc1/N=C/N(C)C.
What is the InChIKey of N,N-dimethyl-N'-[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide?
The InChIKey is WPSOVBLXSSVVLY-LHHJGKSTSA-N. The full InChI is InChI=1S/C9H11F3N4/c1-6-8(14-5-16(2)3)13-4-7(15-6)9(10,11)12/h4-5H,1-3H3/b14-5+.
What are the key properties of N,N-dimethyl-N'-[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide?
N,N-dimethyl-N'-[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide has a molecular weight of 232.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide is sourced from PubChem (CID 164683015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).