6-N-methyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine

C12H16N8 — CID 80852584

IUPAC6-N-methyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCNc1cn2ccnc2c(NCCc2ncn(C)n2)n1
InChIInChI=1S/C12H16N8/c1-13-10-7-20-6-5-15-12(20)11(17-10)14-4-3-9-16-8-19(2)18-9/h5-8,13H,3-4H2,1-2H3,(H,14,17)
InChIKeyXMOXNRHUFZDZPS-UHFFFAOYSA-N
MW272.32 g/mol
LogP0.55
Rot. Bonds5

About 6-N-methyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine

6-N-methyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80852584) has the molecular formula C12H16N8 and a molecular weight of 272.32 g/mol. Its IUPAC name is 6-N-methyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name6-N-methyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80852584
Molecular FormulaC12H16N8
Molecular Weight272.32 g/mol
Exact Mass272.15
IUPAC Name6-N-methyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCNc1cn2ccnc2c(NCCc2ncn(C)n2)n1
InChIInChI=1S/C12H16N8/c1-13-10-7-20-6-5-15-12(20)11(17-10)14-4-3-9-16-8-19(2)18-9/h5-8,13H,3-4H2,1-2H3,(H,14,17)
InChIKeyXMOXNRHUFZDZPS-UHFFFAOYSA-N
XLogP0.55
TPSA84.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-(2,2-dimethylpropyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80798027
4-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol
CID 80841693
8-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 115991936
6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 113488442
8-N-(1,3-dimethylpyrazol-4-yl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 102807864
6-N-methyl-8-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 106434075
5-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pentanamide
CID 106241711
6-N-methyl-8-N-(2,3,3-trimethylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 83147491
8-N-tert-butyl-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80768283
2-[3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propoxy]ethanol
CID 106311573
6-N-methyl-8-N-(4-propan-2-yloxybutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 106014703

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 6-N-methyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine (CID 80852584) is 6-N-methyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 6-N-methyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 6-N-methyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine is CNc1cn2ccnc2c(NCCc2ncn(C)n2)n1.
What is the InChIKey of 6-N-methyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is XMOXNRHUFZDZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N8/c1-13-10-7-20-6-5-15-12(20)11(17-10)14-4-3-9-16-8-19(2)18-9/h5-8,13H,3-4H2,1-2H3,(H,14,17).
What are the key properties of 6-N-methyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine?
6-N-methyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 272.32 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80852584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).