N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3,3,3-trifluoropropan-1-amine

C10H10BrF3N4 — CID 79166109

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C10H10BrF3N4/c11-8-6-18-7(4-17-9(18)5-16-8)3-15-2-1-10(12,13)14/h4-6,15H,1-3H2
InChIKeyZANXIKCTHHEJSP-UHFFFAOYSA-N
MW323.12 g/mol
LogP2.53
Rot. Bonds4

About N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3,3,3-trifluoropropan-1-amine

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 79166109) has the molecular formula C10H10BrF3N4 and a molecular weight of 323.12 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID79166109
Molecular FormulaC10H10BrF3N4
Molecular Weight323.12 g/mol
Exact Mass322.00
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESFC(F)(F)CCNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C10H10BrF3N4/c11-8-6-18-7(4-17-9(18)5-16-8)3-15-2-1-10(12,13)14/h4-6,15H,1-3H2
InChIKeyZANXIKCTHHEJSP-UHFFFAOYSA-N
XLogP2.53
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.12
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3,3,3-trifluoropropan-1-amine (CID 79166109) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3,3,3-trifluoropropan-1-amine is FC(F)(F)CCNCc1cnc2cnc(Br)cn12.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is ZANXIKCTHHEJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N4/c11-8-6-18-7(4-17-9(18)5-16-8)3-15-2-1-10(12,13)14/h4-6,15H,1-3H2.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3,3,3-trifluoropropan-1-amine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 323.12 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 79166109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).