N-propyl-5-(4,4,4-trifluorobutoxymethyl)pyrazin-2-amine

C12H18F3N3O — CID 103059360

IUPACN-propyl-5-(4,4,4-trifluorobutoxymethyl)pyrazin-2-amine
SMILESCCCNc1cnc(COCCCC(F)(F)F)cn1
InChIInChI=1S/C12H18F3N3O/c1-2-5-16-11-8-17-10(7-18-11)9-19-6-3-4-12(13,14)15/h7-8H,2-6,9H2,1H3,(H,16,18)
InChIKeyPGUONMXIWMBVRY-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.16
Rot. Bonds8

About N-propyl-5-(4,4,4-trifluorobutoxymethyl)pyrazin-2-amine

N-propyl-5-(4,4,4-trifluorobutoxymethyl)pyrazin-2-amine (PubChem CID 103059360) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is N-propyl-5-(4,4,4-trifluorobutoxymethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-propyl-5-(4,4,4-trifluorobutoxymethyl)pyrazin-2-amine
PubChem CID103059360
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC NameN-propyl-5-(4,4,4-trifluorobutoxymethyl)pyrazin-2-amine
SMILESCCCNc1cnc(COCCCC(F)(F)F)cn1
InChIInChI=1S/C12H18F3N3O/c1-2-5-16-11-8-17-10(7-18-11)9-19-6-3-4-12(13,14)15/h7-8H,2-6,9H2,1H3,(H,16,18)
InChIKeyPGUONMXIWMBVRY-UHFFFAOYSA-N
XLogP3.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.16
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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Related Compounds

5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine
CID 103059228
5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine
CID 103058513
N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine
CID 103057969
N-propyl-6-(3,3,3-trifluoropropoxymethyl)pyridin-2-amine
CID 82957468
5-(hexoxymethyl)-N-methylpyrazin-2-amine
CID 103058547
5-[(3,5-difluorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103059023
5-(3,3-dimethylbutoxymethyl)-N-methylpyrazin-2-amine
CID 103059229
N-ethyl-2-(4,4,4-trifluorobutoxymethyl)pyridin-4-amine
CID 82791929
N-propyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107380778
1-methoxy-3-[methyl-[[5-(propylamino)pyrazin-2-yl]methyl]amino]propan-2-ol
CID 103056206
5-[(3-bromo-4-fluorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103059413
5-[[2-ethoxyethyl(ethyl)amino]methyl]-N-propylpyrazin-2-amine
CID 103056461

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-(4,4,4-trifluorobutoxymethyl)pyrazin-2-amine?
The IUPAC name of N-propyl-5-(4,4,4-trifluorobutoxymethyl)pyrazin-2-amine (CID 103059360) is N-propyl-5-(4,4,4-trifluorobutoxymethyl)pyrazin-2-amine.
What is the SMILES notation for N-propyl-5-(4,4,4-trifluorobutoxymethyl)pyrazin-2-amine?
The canonical SMILES for N-propyl-5-(4,4,4-trifluorobutoxymethyl)pyrazin-2-amine is CCCNc1cnc(COCCCC(F)(F)F)cn1.
What is the InChIKey of N-propyl-5-(4,4,4-trifluorobutoxymethyl)pyrazin-2-amine?
The InChIKey is PGUONMXIWMBVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-2-5-16-11-8-17-10(7-18-11)9-19-6-3-4-12(13,14)15/h7-8H,2-6,9H2,1H3,(H,16,18).
What are the key properties of N-propyl-5-(4,4,4-trifluorobutoxymethyl)pyrazin-2-amine?
N-propyl-5-(4,4,4-trifluorobutoxymethyl)pyrazin-2-amine has a molecular weight of 277.29 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(4,4,4-trifluorobutoxymethyl)pyrazin-2-amine is sourced from PubChem (CID 103059360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).