8-N-(cyclobutylmethyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine

C12H17N5 — CID 80784676

IUPAC8-N-(cyclobutylmethyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
SMILESCNc1cn2ccnc2c(NCC2CCC2)n1
InChIInChI=1S/C12H17N5/c1-13-10-8-17-6-5-14-12(17)11(16-10)15-7-9-3-2-4-9/h5-6,8-9,13H,2-4,7H2,1H3,(H,15,16)
InChIKeyAFNUHABHOMSWAT-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.98
Rot. Bonds4

About 8-N-(cyclobutylmethyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine

8-N-(cyclobutylmethyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80784676) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 8-N-(cyclobutylmethyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name8-N-(cyclobutylmethyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80784676
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name8-N-(cyclobutylmethyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
SMILESCNc1cn2ccnc2c(NCC2CCC2)n1
InChIInChI=1S/C12H17N5/c1-13-10-8-17-6-5-14-12(17)11(16-10)15-7-9-3-2-4-9/h5-6,8-9,13H,2-4,7H2,1H3,(H,15,16)
InChIKeyAFNUHABHOMSWAT-UHFFFAOYSA-N
XLogP1.98
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-8-N-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80811812
8-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80815764
6-hydrazinyl-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 80902724
8-N-(2,2-dimethylpropyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80798027
6-N-methyl-8-N-(3-methylcyclohexyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80784161
6-N-ethyl-8-N-[(2-methylcyclopentyl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 107421148
N-(2-cyclohexylethyl)-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80899444
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-(2-methylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80832137
8-(2-cyclopropylethoxy)-N-methylimidazo[1,2-a]pyrazin-6-amine
CID 106207574

Frequently Asked Questions

What is the IUPAC name of 8-N-(cyclobutylmethyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 8-N-(cyclobutylmethyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine (CID 80784676) is 8-N-(cyclobutylmethyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 8-N-(cyclobutylmethyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 8-N-(cyclobutylmethyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine is CNc1cn2ccnc2c(NCC2CCC2)n1.
What is the InChIKey of 8-N-(cyclobutylmethyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is AFNUHABHOMSWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-13-10-8-17-6-5-14-12(17)11(16-10)15-7-9-3-2-4-9/h5-6,8-9,13H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 8-N-(cyclobutylmethyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine?
8-N-(cyclobutylmethyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 231.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(cyclobutylmethyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80784676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).