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

C11H13N7 — CID 80829250

IUPAC8-N-[(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCn1ccnc1CNc1nc(N)cn2ccnc12
InChIInChI=1S/C11H13N7/c1-17-4-2-13-9(17)6-15-10-11-14-3-5-18(11)7-8(12)16-10/h2-5,7H,6,12H2,1H3,(H,15,16)
InChIKeyVJSGAJTXKJEGGM-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.66
Rot. Bonds3

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

8-N-[(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80829250) has the molecular formula C11H13N7 and a molecular weight of 243.27 g/mol. Its IUPAC name is 8-N-[(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name8-N-[(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80829250
Molecular FormulaC11H13N7
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name8-N-[(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCn1ccnc1CNc1nc(N)cn2ccnc12
InChIInChI=1S/C11H13N7/c1-17-4-2-13-9(17)6-15-10-11-14-3-5-18(11)7-8(12)16-10/h2-5,7H,6,12H2,1H3,(H,15,16)
InChIKeyVJSGAJTXKJEGGM-UHFFFAOYSA-N
XLogP0.66
TPSA86.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-N-[(3-methyl-4-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 114702239
8-N-(1,2,4-oxadiazol-3-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 106411978
8-N-(1,2-oxazol-5-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 114187084
8-N-[(3-methylthiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80854414
(2S)-2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-3-methylbutan-1-ol
CID 80848904
methyl 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]acetate
CID 80776875
8-N-[(5-chlorothiophen-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80836363
3-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-N,N-dimethylpropanamide
CID 80814263
8-N-[(6-methoxy-3-pyridinyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80831802
8-N-(2-cyclopropylpropyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 113476564
8-N-(2-ethylhexyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 107818998
8-N-(3-ethylpentan-3-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80841859

Frequently Asked Questions

What is the IUPAC name of 8-N-[(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 8-N-[(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine (CID 80829250) is 8-N-[(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 8-N-[(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 8-N-[(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine is Cn1ccnc1CNc1nc(N)cn2ccnc12.
What is the InChIKey of 8-N-[(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is VJSGAJTXKJEGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7/c1-17-4-2-13-9(17)6-15-10-11-14-3-5-18(11)7-8(12)16-10/h2-5,7H,6,12H2,1H3,(H,15,16).
What are the key properties of 8-N-[(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine?
8-N-[(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 243.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80829250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).