5-bromo-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-b]pyrazine

C10H13BrN4O — CID 141313311

IUPAC5-bromo-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-b]pyrazine
SMILESBrc1cnc2c(n1)N(C1CCOCC1)CN2
InChIInChI=1S/C10H13BrN4O/c11-8-5-12-9-10(14-8)15(6-13-9)7-1-3-16-4-2-7/h5,7H,1-4,6H2,(H,12,13)
InChIKeyBUYRTVVYCMNVGD-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.61
Rot. Bonds1

About 5-bromo-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-b]pyrazine

5-bromo-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-b]pyrazine (PubChem CID 141313311) has the molecular formula C10H13BrN4O and a molecular weight of 285.14 g/mol. Its IUPAC name is 5-bromo-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name5-bromo-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-b]pyrazine
PubChem CID141313311
Molecular FormulaC10H13BrN4O
Molecular Weight285.14 g/mol
Exact Mass284.03
IUPAC Name5-bromo-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-b]pyrazine
SMILESBrc1cnc2c(n1)N(C1CCOCC1)CN2
InChIInChI=1S/C10H13BrN4O/c11-8-5-12-9-10(14-8)15(6-13-9)7-1-3-16-4-2-7/h5,7H,1-4,6H2,(H,12,13)
InChIKeyBUYRTVVYCMNVGD-UHFFFAOYSA-N
XLogP1.61
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-9-(oxan-4-yl)-7,8-dihydropurine
CID 141313293
(5-bromo-3-morpholin-4-ylpyrazin-2-yl)hydrazine
CID 89417145
4-bromo-1-(oxan-4-yl)triazole
CID 130138844
2-bromo-1-methyl-5-(oxan-4-yl)imidazole
CID 117259832
4-bromo-1-(oxan-4-yl)pyrazol-3-amine
CID 63938031
3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen
CID 159072734
6-cyclopropyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine
CID 156846964
4-bromo-2-ethyl-1-(oxolan-3-yl)imidazole
CID 130138637
6-bromo-2-(2-chloroethyl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 79302179
4-chloro-1-(oxan-4-yl)pyrazole
CID 84732827
3-[4-(2-hydroxypropan-2-yl)phenyl]-5-[2-(oxan-4-yl)ethyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 59453066
2-[5-fluoro-4-(4H-imidazol-2-yl)-2-methylphenyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 149320416

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-b]pyrazine?
The IUPAC name of 5-bromo-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-b]pyrazine (CID 141313311) is 5-bromo-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-b]pyrazine.
What is the SMILES notation for 5-bromo-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-b]pyrazine?
The canonical SMILES for 5-bromo-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-b]pyrazine is Brc1cnc2c(n1)N(C1CCOCC1)CN2.
What is the InChIKey of 5-bromo-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-b]pyrazine?
The InChIKey is BUYRTVVYCMNVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O/c11-8-5-12-9-10(14-8)15(6-13-9)7-1-3-16-4-2-7/h5,7H,1-4,6H2,(H,12,13).
What are the key properties of 5-bromo-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-b]pyrazine?
5-bromo-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-b]pyrazine has a molecular weight of 285.14 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-b]pyrazine is sourced from PubChem (CID 141313311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).