3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propanamide

C9H10BrN5O — CID 79958127

IUPAC3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propanamide
SMILESNC(=O)CCNc1nc(Br)cn2ccnc12
InChIInChI=1S/C9H10BrN5O/c10-6-5-15-4-3-13-9(15)8(14-6)12-2-1-7(11)16/h3-5H,1-2H2,(H2,11,16)(H,12,14)
InChIKeyDZVKYIFTCGKIBE-UHFFFAOYSA-N
MW284.12 g/mol
LogP0.78
Rot. Bonds4

About 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propanamide

3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propanamide (PubChem CID 79958127) has the molecular formula C9H10BrN5O and a molecular weight of 284.12 g/mol. Its IUPAC name is 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propanamide
PubChem CID79958127
Molecular FormulaC9H10BrN5O
Molecular Weight284.12 g/mol
Exact Mass283.01
IUPAC Name3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propanamide
SMILESNC(=O)CCNc1nc(Br)cn2ccnc12
InChIInChI=1S/C9H10BrN5O/c10-6-5-15-4-3-13-9(15)8(14-6)12-2-1-7(11)16/h3-5H,1-2H2,(H2,11,16)(H,12,14)
InChIKeyDZVKYIFTCGKIBE-UHFFFAOYSA-N
XLogP0.78
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propanamide?
The IUPAC name of 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propanamide (CID 79958127) is 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propanamide.
What is the SMILES notation for 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propanamide?
The canonical SMILES for 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propanamide is NC(=O)CCNc1nc(Br)cn2ccnc12.
What is the InChIKey of 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propanamide?
The InChIKey is DZVKYIFTCGKIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O/c10-6-5-15-4-3-13-9(15)8(14-6)12-2-1-7(11)16/h3-5H,1-2H2,(H2,11,16)(H,12,14).
What are the key properties of 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propanamide?
3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propanamide has a molecular weight of 284.12 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propanamide is sourced from PubChem (CID 79958127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).