6-N-ethyl-8-N-hexylimidazo[1,2-a]pyrazine-6,8-diamine

C14H23N5 — CID 80835650

IUPAC6-N-ethyl-8-N-hexylimidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCCCCCNc1nc(NCC)cn2ccnc12
InChIInChI=1S/C14H23N5/c1-3-5-6-7-8-16-13-14-17-9-10-19(14)11-12(18-13)15-4-2/h9-11,15H,3-8H2,1-2H3,(H,16,18)
InChIKeyAGHJMQVAISKSFG-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.15
Rot. Bonds8

About 6-N-ethyl-8-N-hexylimidazo[1,2-a]pyrazine-6,8-diamine

6-N-ethyl-8-N-hexylimidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80835650) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-N-ethyl-8-N-hexylimidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name6-N-ethyl-8-N-hexylimidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80835650
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name6-N-ethyl-8-N-hexylimidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCCCCCNc1nc(NCC)cn2ccnc12
InChIInChI=1S/C14H23N5/c1-3-5-6-7-8-16-13-14-17-9-10-19(14)11-12(18-13)15-4-2/h9-11,15H,3-8H2,1-2H3,(H,16,18)
InChIKeyAGHJMQVAISKSFG-UHFFFAOYSA-N
XLogP3.15
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80931834
6-bromo-N-hexylimidazo[1,2-a]pyrazin-8-amine
CID 79946477
6-N-ethyl-8-N-(2-methylsulfonylethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80791433
6-N-ethyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80840517
8-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80823604
6-N-ethyl-8-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 106412064
6-N-ethyl-8-N-(2-methoxy-2-methylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 104767303
methyl 2-[[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetate
CID 80777733
6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 113488442
8-heptoxy-N-propylimidazo[1,2-a]pyrazin-6-amine
CID 80842087
8-butylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine
CID 80885141
6-N-ethyl-8-N-(2-methyl-2-methylsulfonylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80837011

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-8-N-hexylimidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 6-N-ethyl-8-N-hexylimidazo[1,2-a]pyrazine-6,8-diamine (CID 80835650) is 6-N-ethyl-8-N-hexylimidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 6-N-ethyl-8-N-hexylimidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 6-N-ethyl-8-N-hexylimidazo[1,2-a]pyrazine-6,8-diamine is CCCCCCNc1nc(NCC)cn2ccnc12.
What is the InChIKey of 6-N-ethyl-8-N-hexylimidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is AGHJMQVAISKSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-3-5-6-7-8-16-13-14-17-9-10-19(14)11-12(18-13)15-4-2/h9-11,15H,3-8H2,1-2H3,(H,16,18).
What are the key properties of 6-N-ethyl-8-N-hexylimidazo[1,2-a]pyrazine-6,8-diamine?
6-N-ethyl-8-N-hexylimidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 261.37 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-8-N-hexylimidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80835650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).