N-propyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine

C13H17F3N4O — CID 82782446

IUPACN-propyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine
SMILESCCCNc1cn2ccnc2c(OCCCC(F)(F)F)n1
InChIInChI=1S/C13H17F3N4O/c1-2-5-17-10-9-20-7-6-18-11(20)12(19-10)21-8-3-4-13(14,15)16/h6-7,9,17H,2-5,8H2,1H3
InChIKeyDLFDBUZFCDLHCI-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.27
Rot. Bonds7

About N-propyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine

N-propyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine (PubChem CID 82782446) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is N-propyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine.

Molecular Properties

Compound NameN-propyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine
PubChem CID82782446
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC NameN-propyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine
SMILESCCCNc1cn2ccnc2c(OCCCC(F)(F)F)n1
InChIInChI=1S/C13H17F3N4O/c1-2-5-17-10-9-20-7-6-18-11(20)12(19-10)21-8-3-4-13(14,15)16/h6-7,9,17H,2-5,8H2,1H3
InChIKeyDLFDBUZFCDLHCI-UHFFFAOYSA-N
XLogP3.27
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-propyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine?
The IUPAC name of N-propyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine (CID 82782446) is N-propyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine.
What is the SMILES notation for N-propyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine?
The canonical SMILES for N-propyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine is CCCNc1cn2ccnc2c(OCCCC(F)(F)F)n1.
What is the InChIKey of N-propyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine?
The InChIKey is DLFDBUZFCDLHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-2-5-17-10-9-20-7-6-18-11(20)12(19-10)21-8-3-4-13(14,15)16/h6-7,9,17H,2-5,8H2,1H3.
What are the key properties of N-propyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine?
N-propyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine has a molecular weight of 302.30 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-8-(4,4,4-trifluorobutoxy)imidazo[1,2-a]pyrazin-6-amine is sourced from PubChem (CID 82782446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).