8-N-(3-ethylpentan-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine

C13H21N5 — CID 80841859

IUPAC8-N-(3-ethylpentan-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCC(CC)(CC)Nc1nc(N)cn2ccnc12
InChIInChI=1S/C13H21N5/c1-4-13(5-2,6-3)17-11-12-15-7-8-18(12)9-10(14)16-11/h7-9H,4-6,14H2,1-3H3,(H,16,17)
InChIKeyLFLMHACDBCBGHM-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.69
Rot. Bonds5

About 8-N-(3-ethylpentan-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine

8-N-(3-ethylpentan-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80841859) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 8-N-(3-ethylpentan-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name8-N-(3-ethylpentan-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80841859
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name8-N-(3-ethylpentan-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCCC(CC)(CC)Nc1nc(N)cn2ccnc12
InChIInChI=1S/C13H21N5/c1-4-13(5-2,6-3)17-11-12-15-7-8-18(12)9-10(14)16-11/h7-9H,4-6,14H2,1-3H3,(H,16,17)
InChIKeyLFLMHACDBCBGHM-UHFFFAOYSA-N
XLogP2.69
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-N-(4-ethylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80761933
8-N-(5-methylhexan-2-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80838339
8-N-[(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80829250
8-N-(2-propylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80808245
1-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106150210
methyl 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]acetate
CID 80776875
2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexan-1-ol
CID 80827493
(2S)-2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutan-1-ol
CID 80848904
8-N-(2-ethylhexyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 107818998
8-N-(2-cyclopropylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 113476564
8-N-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 106219584
imidazo[1,2-a]pyrazine-6,8-diamine
CID 80796979

Frequently Asked Questions

What is the IUPAC name of 8-N-(3-ethylpentan-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 8-N-(3-ethylpentan-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine (CID 80841859) is 8-N-(3-ethylpentan-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 8-N-(3-ethylpentan-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 8-N-(3-ethylpentan-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine is CCC(CC)(CC)Nc1nc(N)cn2ccnc12.
What is the InChIKey of 8-N-(3-ethylpentan-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is LFLMHACDBCBGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-4-13(5-2,6-3)17-11-12-15-7-8-18(12)9-10(14)16-11/h7-9H,4-6,14H2,1-3H3,(H,16,17).
What are the key properties of 8-N-(3-ethylpentan-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine?
8-N-(3-ethylpentan-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 247.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(3-ethylpentan-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80841859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).