2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,3-diol

C10H13BrN4O2 — CID 79163945

IUPAC2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,3-diol
SMILESOCC(CO)NCc1cnc2cnc(Br)cn12
InChIInChI=1S/C10H13BrN4O2/c11-9-4-15-8(1-12-7(5-16)6-17)2-14-10(15)3-13-9/h2-4,7,12,16-17H,1,5-6H2
InChIKeyWPKGDIDMQXPSPV-UHFFFAOYSA-N
MW301.14 g/mol
LogP-0.07
Rot. Bonds5

About 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,3-diol

2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,3-diol (PubChem CID 79163945) has the molecular formula C10H13BrN4O2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,3-diol
PubChem CID79163945
Molecular FormulaC10H13BrN4O2
Molecular Weight301.14 g/mol
Exact Mass300.02
IUPAC Name2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,3-diol
SMILESOCC(CO)NCc1cnc2cnc(Br)cn12
InChIInChI=1S/C10H13BrN4O2/c11-9-4-15-8(1-12-7(5-16)6-17)2-14-10(15)3-13-9/h2-4,7,12,16-17H,1,5-6H2
InChIKeyWPKGDIDMQXPSPV-UHFFFAOYSA-N
XLogP-0.07
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,3-diol (CID 79163945) is 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,3-diol is OCC(CO)NCc1cnc2cnc(Br)cn12.
What is the InChIKey of 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,3-diol?
The InChIKey is WPKGDIDMQXPSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O2/c11-9-4-15-8(1-12-7(5-16)6-17)2-14-10(15)3-13-9/h2-4,7,12,16-17H,1,5-6H2.
What are the key properties of 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,3-diol?
2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,3-diol has a molecular weight of 301.14 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 79163945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).