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

C15H21BrN4 — CID 121455610

IUPAC1-bromo-3-(1,3,3-trimethylcyclohexyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCC1(C)CCCC(C)(c2nc(Br)c3c(N)nccn23)C1
InChIInChI=1S/C15H21BrN4/c1-14(2)5-4-6-15(3,9-14)13-19-11(16)10-12(17)18-7-8-20(10)13/h7-8H,4-6,9H2,1-3H3,(H2,17,18)
InChIKeyPQOHHBNJKHTPLI-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.93
Rot. Bonds1

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

1-bromo-3-(1,3,3-trimethylcyclohexyl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 121455610) has the molecular formula C15H21BrN4 and a molecular weight of 337.27 g/mol. Its IUPAC name is 1-bromo-3-(1,3,3-trimethylcyclohexyl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-bromo-3-(1,3,3-trimethylcyclohexyl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID121455610
Molecular FormulaC15H21BrN4
Molecular Weight337.27 g/mol
Exact Mass336.09
IUPAC Name1-bromo-3-(1,3,3-trimethylcyclohexyl)imidazo[1,5-a]pyrazin-8-amine
SMILESCC1(C)CCCC(C)(c2nc(Br)c3c(N)nccn23)C1
InChIInChI=1S/C15H21BrN4/c1-14(2)5-4-6-15(3,9-14)13-19-11(16)10-12(17)18-7-8-20(10)13/h7-8H,4-6,9H2,1-3H3,(H2,17,18)
InChIKeyPQOHHBNJKHTPLI-UHFFFAOYSA-N
XLogP3.93
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(1,3,3-trimethylcyclohexyl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-bromo-3-(1,3,3-trimethylcyclohexyl)imidazo[1,5-a]pyrazin-8-amine (CID 121455610) is 1-bromo-3-(1,3,3-trimethylcyclohexyl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-bromo-3-(1,3,3-trimethylcyclohexyl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-bromo-3-(1,3,3-trimethylcyclohexyl)imidazo[1,5-a]pyrazin-8-amine is CC1(C)CCCC(C)(c2nc(Br)c3c(N)nccn23)C1.
What is the InChIKey of 1-bromo-3-(1,3,3-trimethylcyclohexyl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is PQOHHBNJKHTPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4/c1-14(2)5-4-6-15(3,9-14)13-19-11(16)10-12(17)18-7-8-20(10)13/h7-8H,4-6,9H2,1-3H3,(H2,17,18).
What are the key properties of 1-bromo-3-(1,3,3-trimethylcyclohexyl)imidazo[1,5-a]pyrazin-8-amine?
1-bromo-3-(1,3,3-trimethylcyclohexyl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 337.27 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(1,3,3-trimethylcyclohexyl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 121455610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).