N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-fluoroaniline

C14H17FN4 — CID 55143465

IUPACN-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-fluoroaniline
SMILESFc1cccc(NCCN2CCn3ccnc3C2)c1
InChIInChI=1S/C14H17FN4/c15-12-2-1-3-13(10-12)16-4-6-18-8-9-19-7-5-17-14(19)11-18/h1-3,5,7,10,16H,4,6,8-9,11H2
InChIKeyDJCLUOMPOYCCEF-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.95
Rot. Bonds4

About N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-fluoroaniline

N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-fluoroaniline (PubChem CID 55143465) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-fluoroaniline
PubChem CID55143465
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC NameN-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-fluoroaniline
SMILESFc1cccc(NCCN2CCn3ccnc3C2)c1
InChIInChI=1S/C14H17FN4/c15-12-2-1-3-13(10-12)16-4-6-18-8-9-19-7-5-17-14(19)11-18/h1-3,5,7,10,16H,4,6,8-9,11H2
InChIKeyDJCLUOMPOYCCEF-UHFFFAOYSA-N
XLogP1.95
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-fluoroaniline?
The IUPAC name of N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-fluoroaniline (CID 55143465) is N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-fluoroaniline.
What is the SMILES notation for N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-fluoroaniline?
The canonical SMILES for N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-fluoroaniline is Fc1cccc(NCCN2CCn3ccnc3C2)c1.
What is the InChIKey of N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-fluoroaniline?
The InChIKey is DJCLUOMPOYCCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c15-12-2-1-3-13(10-12)16-4-6-18-8-9-19-7-5-17-14(19)11-18/h1-3,5,7,10,16H,4,6,8-9,11H2.
What are the key properties of N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-fluoroaniline?
N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-fluoroaniline has a molecular weight of 260.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-fluoroaniline is sourced from PubChem (CID 55143465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).