1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine

C13H17BrN4O — CID 71223259

IUPAC1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCOC1CCC(c2nc(Br)c3c(N)nccn23)CC1
InChIInChI=1S/C13H17BrN4O/c1-19-9-4-2-8(3-5-9)13-17-11(14)10-12(15)16-6-7-18(10)13/h6-9H,2-5H2,1H3,(H2,15,16)
InChIKeyADPJJKJNMQBANC-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.75
Rot. Bonds2

About 1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine

1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 71223259) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID71223259
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCOC1CCC(c2nc(Br)c3c(N)nccn23)CC1
InChIInChI=1S/C13H17BrN4O/c1-19-9-4-2-8(3-5-9)13-17-11(14)10-12(15)16-6-7-18(10)13/h6-9H,2-5H2,1H3,(H2,15,16)
InChIKeyADPJJKJNMQBANC-UHFFFAOYSA-N
XLogP2.75
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine (CID 71223259) is 1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine is COC1CCC(c2nc(Br)c3c(N)nccn23)CC1.
What is the InChIKey of 1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is ADPJJKJNMQBANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-19-9-4-2-8(3-5-9)13-17-11(14)10-12(15)16-6-7-18(10)13/h6-9H,2-5H2,1H3,(H2,15,16).
What are the key properties of 1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine?
1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 325.21 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 71223259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).