2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine

C12H11F3N4 — CID 80652487

IUPAC2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine
SMILESNc1cnc(NCc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C12H11F3N4/c13-12(14,15)9-3-1-8(2-4-9)5-18-11-7-17-10(16)6-19-11/h1-4,6-7H,5H2,(H2,16,17)(H,18,19)
InChIKeyUJGIOZJIDWNRSP-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.69
Rot. Bonds3

About 2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine

2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine (PubChem CID 80652487) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine
PubChem CID80652487
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine
SMILESNc1cnc(NCc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C12H11F3N4/c13-12(14,15)9-3-1-8(2-4-9)5-18-11-7-17-10(16)6-19-11/h1-4,6-7H,5H2,(H2,16,17)(H,18,19)
InChIKeyUJGIOZJIDWNRSP-UHFFFAOYSA-N
XLogP2.69
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 29047903
6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine
CID 11778514
2-N-(2,2,2-trifluoroethyl)pyrazine-2,5-diamine
CID 80651958
5-methylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
CID 511956
5-[(4-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281758
4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408154
N-[(4-aminophenyl)methyl]-5-tert-butylpyridin-2-amine
CID 107875191
5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine
CID 66281298
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 16627006
6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
CID 60726264
2-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436967
4-(2-amino-3-pyridinyl)-3-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]pent-4-en-1-ol;methane
CID 143399610

Frequently Asked Questions

What is the IUPAC name of 2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine?
The IUPAC name of 2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine (CID 80652487) is 2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine?
The canonical SMILES for 2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine is Nc1cnc(NCc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine?
The InChIKey is UJGIOZJIDWNRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c13-12(14,15)9-3-1-8(2-4-9)5-18-11-7-17-10(16)6-19-11/h1-4,6-7H,5H2,(H2,16,17)(H,18,19).
What are the key properties of 2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine?
2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine has a molecular weight of 268.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazine-2,5-diamine is sourced from PubChem (CID 80652487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).