6-bromo-1-[(1-methylimidazol-4-yl)methyl]-5-(trifluoromethyl)-2H-pyrazin-3-amine

C10H11BrF3N5 — CID 155389406

IUPAC6-bromo-1-[(1-methylimidazol-4-yl)methyl]-5-(trifluoromethyl)-2H-pyrazin-3-amine
SMILESCn1cnc(CN2CC(N)=NC(C(F)(F)F)=C2Br)c1
InChIInChI=1S/C10H11BrF3N5/c1-18-2-6(16-5-18)3-19-4-7(15)17-8(9(19)11)10(12,13)14/h2,5H,3-4H2,1H3,(H2,15,17)
InChIKeyIGNKGIBYSBHSEC-UHFFFAOYSA-N
MW338.13 g/mol
LogP1.72
Rot. Bonds2

About 6-bromo-1-[(1-methylimidazol-4-yl)methyl]-5-(trifluoromethyl)-2H-pyrazin-3-amine

6-bromo-1-[(1-methylimidazol-4-yl)methyl]-5-(trifluoromethyl)-2H-pyrazin-3-amine (PubChem CID 155389406) has the molecular formula C10H11BrF3N5 and a molecular weight of 338.13 g/mol. Its IUPAC name is 6-bromo-1-[(1-methylimidazol-4-yl)methyl]-5-(trifluoromethyl)-2H-pyrazin-3-amine.

Molecular Properties

Compound Name6-bromo-1-[(1-methylimidazol-4-yl)methyl]-5-(trifluoromethyl)-2H-pyrazin-3-amine
PubChem CID155389406
Molecular FormulaC10H11BrF3N5
Molecular Weight338.13 g/mol
Exact Mass337.01
IUPAC Name6-bromo-1-[(1-methylimidazol-4-yl)methyl]-5-(trifluoromethyl)-2H-pyrazin-3-amine
SMILESCn1cnc(CN2CC(N)=NC(C(F)(F)F)=C2Br)c1
InChIInChI=1S/C10H11BrF3N5/c1-18-2-6(16-5-18)3-19-4-7(15)17-8(9(19)11)10(12,13)14/h2,5H,3-4H2,1H3,(H2,15,17)
InChIKeyIGNKGIBYSBHSEC-UHFFFAOYSA-N
XLogP1.72
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.13
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-5-aminomethylimidazole
CID 2795424
(1-methyl-1H-imidazol-4-yl)methanamine
CID 2795114
methyl[(1-methyl-1H-imidazol-5-yl)methyl]amine
CID 7164555
1,2-Dimethyl-1H-imidazole-5-methanamine
CID 13062778
N,1-Dimethyl-1H-imidazole-4-methanamine
CID 21366440
(1-ethyl-1H-imidazol-5-yl)methanamine
CID 28063992
3-(trifluoromethyl)-5H,6H,7H,8H-imidazo(1,5-a)pyrazine
CID 34176314
((1-methyl-1H-imidazol-5-yl)methyl)(propan-2-yl)amine
CID 59237459
ethyl[(1-methyl-1H-imidazol-5-yl)methyl]amine
CID 59746123
((1-ethyl-1H-imidazol-5-yl)methyl)(methyl)amine
CID 66118213
[1-(propan-2-yl)-1H-imidazol-4-yl]methanamine
CID 75355643
(1-ethyl-1H-imidazol-4-yl)methanamine
CID 82467725

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(1-methylimidazol-4-yl)methyl]-5-(trifluoromethyl)-2H-pyrazin-3-amine?
The IUPAC name of 6-bromo-1-[(1-methylimidazol-4-yl)methyl]-5-(trifluoromethyl)-2H-pyrazin-3-amine (CID 155389406) is 6-bromo-1-[(1-methylimidazol-4-yl)methyl]-5-(trifluoromethyl)-2H-pyrazin-3-amine.
What is the SMILES notation for 6-bromo-1-[(1-methylimidazol-4-yl)methyl]-5-(trifluoromethyl)-2H-pyrazin-3-amine?
The canonical SMILES for 6-bromo-1-[(1-methylimidazol-4-yl)methyl]-5-(trifluoromethyl)-2H-pyrazin-3-amine is Cn1cnc(CN2CC(N)=NC(C(F)(F)F)=C2Br)c1.
What is the InChIKey of 6-bromo-1-[(1-methylimidazol-4-yl)methyl]-5-(trifluoromethyl)-2H-pyrazin-3-amine?
The InChIKey is IGNKGIBYSBHSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N5/c1-18-2-6(16-5-18)3-19-4-7(15)17-8(9(19)11)10(12,13)14/h2,5H,3-4H2,1H3,(H2,15,17).
What are the key properties of 6-bromo-1-[(1-methylimidazol-4-yl)methyl]-5-(trifluoromethyl)-2H-pyrazin-3-amine?
6-bromo-1-[(1-methylimidazol-4-yl)methyl]-5-(trifluoromethyl)-2H-pyrazin-3-amine has a molecular weight of 338.13 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(1-methylimidazol-4-yl)methyl]-5-(trifluoromethyl)-2H-pyrazin-3-amine is sourced from PubChem (CID 155389406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).