3-bromo-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine

C9H11BrN4 — CID 21070914

IUPAC3-bromo-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine
SMILESCC(C)Nc1nccn2c(Br)cnc12
InChIInChI=1S/C9H11BrN4/c1-6(2)13-8-9-12-5-7(10)14(9)4-3-11-8/h3-6H,1-2H3,(H,11,13)
InChIKeyNPWGEKVQVMTWET-UHFFFAOYSA-N
MW255.12 g/mol
LogP2.31
Rot. Bonds2

About 3-bromo-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine

3-bromo-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine (PubChem CID 21070914) has the molecular formula C9H11BrN4 and a molecular weight of 255.12 g/mol. Its IUPAC name is 3-bromo-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-bromo-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine
PubChem CID21070914
Molecular FormulaC9H11BrN4
Molecular Weight255.12 g/mol
Exact Mass254.02
IUPAC Name3-bromo-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine
SMILESCC(C)Nc1nccn2c(Br)cnc12
InChIInChI=1S/C9H11BrN4/c1-6(2)13-8-9-12-5-7(10)14(9)4-3-11-8/h3-6H,1-2H3,(H,11,13)
InChIKeyNPWGEKVQVMTWET-UHFFFAOYSA-N
XLogP2.31
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-bromo-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine (CID 21070914) is 3-bromo-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-bromo-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-bromo-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine is CC(C)Nc1nccn2c(Br)cnc12.
What is the InChIKey of 3-bromo-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine?
The InChIKey is NPWGEKVQVMTWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4/c1-6(2)13-8-9-12-5-7(10)14(9)4-3-11-8/h3-6H,1-2H3,(H,11,13).
What are the key properties of 3-bromo-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine?
3-bromo-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine has a molecular weight of 255.12 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 21070914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).