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

C10H13BrN4O2 — CID 79164166

IUPAC3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,2-diol
SMILESOCC(O)CNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C10H13BrN4O2/c11-9-5-15-7(1-12-3-8(17)6-16)2-14-10(15)4-13-9/h2,4-5,8,12,16-17H,1,3,6H2
InChIKeyPSSDEQYZINETMB-UHFFFAOYSA-N
MW301.14 g/mol
LogP-0.07
Rot. Bonds5

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

3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,2-diol (PubChem CID 79164166) has the molecular formula C10H13BrN4O2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,2-diol
PubChem CID79164166
Molecular FormulaC10H13BrN4O2
Molecular Weight301.14 g/mol
Exact Mass300.02
IUPAC Name3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,2-diol
SMILESOCC(O)CNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C10H13BrN4O2/c11-9-5-15-7(1-12-3-8(17)6-16)2-14-10(15)4-13-9/h2,4-5,8,12,16-17H,1,3,6H2
InChIKeyPSSDEQYZINETMB-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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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,2-diethoxyethanamine
CID 79548562
2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]phenol
CID 114331591
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]butan-1-ol
CID 83176314
[1-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358358
5-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106144196
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(furan-2-yl)methanamine
CID 79176006
1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114107215
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2,5-difluorophenyl)methanamine
CID 79166111
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-N,N-dimethylpropanamide
CID 79164137
4-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]oxan-4-ol
CID 79597453
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040343
1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106369618

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,2-diol?
The IUPAC name of 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,2-diol (CID 79164166) is 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,2-diol?
The canonical SMILES for 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,2-diol is OCC(O)CNCc1cnc2cnc(Br)cn12.
What is the InChIKey of 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,2-diol?
The InChIKey is PSSDEQYZINETMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O2/c11-9-5-15-7(1-12-3-8(17)6-16)2-14-10(15)4-13-9/h2,4-5,8,12,16-17H,1,3,6H2.
What are the key properties of 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,2-diol?
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,2-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 3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,2-diol is sourced from PubChem (CID 79164166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).