1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine

C11H13BrN4 — CID 71222909

IUPAC1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCCC3)nc(Br)c12
InChIInChI=1S/C11H13BrN4/c12-9-8-10(13)14-5-6-16(8)11(15-9)7-3-1-2-4-7/h5-7H,1-4H2,(H2,13,14)
InChIKeyANDUAWQBNVMEEG-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.73
Rot. Bonds1

About 1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine

1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine (PubChem CID 71222909) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine
PubChem CID71222909
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCCC3)nc(Br)c12
InChIInChI=1S/C11H13BrN4/c12-9-8-10(13)14-5-6-16(8)11(15-9)7-3-1-2-4-7/h5-7H,1-4H2,(H2,13,14)
InChIKeyANDUAWQBNVMEEG-UHFFFAOYSA-N
XLogP2.73
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 71223259
[(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid
CID 71223385
trans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid
CID 121455273
1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine
CID 157102374
(7R,9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 90283466
(9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 138600859
benzyl N-[(1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamate
CID 123809376
benzyl 3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)azetidine-1-carboxylate
CID 138678996
3-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-7-yl)-1-bromoimidazo[1,5-a]pyrazin-8-amine
CID 123183862
trans-methyl (1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-propan-2-ylcyclohexane-1-carboxylate
CID 121455768
(7S,9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one
CID 90283752
6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)spiro[2,5,6,7,8,8a-hexahydroindolizine-1,1'-cyclopropane]-3-one
CID 161414845

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine (CID 71222909) is 1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCCC3)nc(Br)c12.
What is the InChIKey of 1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine?
The InChIKey is ANDUAWQBNVMEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c12-9-8-10(13)14-5-6-16(8)11(15-9)7-3-1-2-4-7/h5-7H,1-4H2,(H2,13,14).
What are the key properties of 1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine?
1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine has a molecular weight of 281.16 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 71222909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).