6-N-butan-2-yl-3-(trifluoromethyl)pyrazine-2,6-diamine

C9H13F3N4 — CID 90391849

IUPAC6-N-butan-2-yl-3-(trifluoromethyl)pyrazine-2,6-diamine
SMILESCCC(C)Nc1cnc(C(F)(F)F)c(N)n1
InChIInChI=1S/C9H13F3N4/c1-3-5(2)15-6-4-14-7(8(13)16-6)9(10,11)12/h4-5H,3H2,1-2H3,(H3,13,15,16)
InChIKeyQCPGRRQHIODBFT-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.29
Rot. Bonds3

About 6-N-butan-2-yl-3-(trifluoromethyl)pyrazine-2,6-diamine

6-N-butan-2-yl-3-(trifluoromethyl)pyrazine-2,6-diamine (PubChem CID 90391849) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 6-N-butan-2-yl-3-(trifluoromethyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name6-N-butan-2-yl-3-(trifluoromethyl)pyrazine-2,6-diamine
PubChem CID90391849
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name6-N-butan-2-yl-3-(trifluoromethyl)pyrazine-2,6-diamine
SMILESCCC(C)Nc1cnc(C(F)(F)F)c(N)n1
InChIInChI=1S/C9H13F3N4/c1-3-5(2)15-6-4-14-7(8(13)16-6)9(10,11)12/h4-5H,3H2,1-2H3,(H3,13,15,16)
InChIKeyQCPGRRQHIODBFT-UHFFFAOYSA-N
XLogP2.29
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Cyclohexylamino)pyrazine-2-carbonitrile
CID 16108898
3-(Methylamino)pyrazine-2-carbonitrile
CID 821140
2-Methyl-3-(piperazin-1-yl)pyrazine
CID 45099710
2-Methyl-6-piperazin-1-ylpyrazine;hydrochloride
CID 90674676
5,6-Dimethylpyrazin-2-amine
CID 222763
N,3-Dimethylpyrazin-2-amine
CID 44327445
N,N,3,6-tetramethylpyrazin-2-amine
CID 8009163
3-(Piperazin-1-yl)pyrazine-2-carbonitrile
CID 2760441
6-(Trifluoromethyl)pyrazin-2-amine
CID 13341114
5-(Trifluoromethyl)pyrazin-2-amine
CID 13341115
3-(Trifluoromethyl)pyrazin-2-amine
CID 25069463
8-methyl-2-(trifluoromethyl)-5H,6H,7H,8H-imidazo(1,2-a)pyrazine
CID 45480427

Frequently Asked Questions

What is the IUPAC name of 6-N-butan-2-yl-3-(trifluoromethyl)pyrazine-2,6-diamine?
The IUPAC name of 6-N-butan-2-yl-3-(trifluoromethyl)pyrazine-2,6-diamine (CID 90391849) is 6-N-butan-2-yl-3-(trifluoromethyl)pyrazine-2,6-diamine.
What is the SMILES notation for 6-N-butan-2-yl-3-(trifluoromethyl)pyrazine-2,6-diamine?
The canonical SMILES for 6-N-butan-2-yl-3-(trifluoromethyl)pyrazine-2,6-diamine is CCC(C)Nc1cnc(C(F)(F)F)c(N)n1.
What is the InChIKey of 6-N-butan-2-yl-3-(trifluoromethyl)pyrazine-2,6-diamine?
The InChIKey is QCPGRRQHIODBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-3-5(2)15-6-4-14-7(8(13)16-6)9(10,11)12/h4-5H,3H2,1-2H3,(H3,13,15,16).
What are the key properties of 6-N-butan-2-yl-3-(trifluoromethyl)pyrazine-2,6-diamine?
6-N-butan-2-yl-3-(trifluoromethyl)pyrazine-2,6-diamine has a molecular weight of 234.22 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butan-2-yl-3-(trifluoromethyl)pyrazine-2,6-diamine is sourced from PubChem (CID 90391849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).