6-bromo-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazin-8-amine

C11H11BrN6 — CID 79947519

IUPAC6-bromo-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCn1cc(CNc2nc(Br)cn3ccnc23)cn1
InChIInChI=1S/C11H11BrN6/c1-17-6-8(5-15-17)4-14-10-11-13-2-3-18(11)7-9(12)16-10/h2-3,5-7H,4H2,1H3,(H,14,16)
InChIKeyFRQQCNKRDXZMGL-UHFFFAOYSA-N
MW307.16 g/mol
LogP1.84
Rot. Bonds3

About 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazin-8-amine

6-bromo-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 79947519) has the molecular formula C11H11BrN6 and a molecular weight of 307.16 g/mol. Its IUPAC name is 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-bromo-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID79947519
Molecular FormulaC11H11BrN6
Molecular Weight307.16 g/mol
Exact Mass306.02
IUPAC Name6-bromo-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCn1cc(CNc2nc(Br)cn3ccnc23)cn1
InChIInChI=1S/C11H11BrN6/c1-17-6-8(5-15-17)4-14-10-11-13-2-3-18(11)7-9(12)16-10/h2-3,5-7H,4H2,1H3,(H,14,16)
InChIKeyFRQQCNKRDXZMGL-UHFFFAOYSA-N
XLogP1.84
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazin-8-amine (CID 79947519) is 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazin-8-amine is Cn1cc(CNc2nc(Br)cn3ccnc23)cn1.
What is the InChIKey of 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is FRQQCNKRDXZMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN6/c1-17-6-8(5-15-17)4-14-10-11-13-2-3-18(11)7-9(12)16-10/h2-3,5-7H,4H2,1H3,(H,14,16).
What are the key properties of 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazin-8-amine?
6-bromo-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 307.16 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 79947519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).