2-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-6-yl)acetic acid

C8H10BrN3O2 — CID 83488671

IUPAC2-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-6-yl)acetic acid
SMILESO=C(O)CC1Cn2c(cnc2Br)CN1
InChIInChI=1S/C8H10BrN3O2/c9-8-11-3-6-2-10-5(1-7(13)14)4-12(6)8/h3,5,10H,1-2,4H2,(H,13,14)
InChIKeyXEWZFAQWTWMNQI-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.59
Rot. Bonds2

About 2-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-6-yl)acetic acid

2-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-6-yl)acetic acid (PubChem CID 83488671) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 2-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-6-yl)acetic acid
PubChem CID83488671
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name2-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-6-yl)acetic acid
SMILESO=C(O)CC1Cn2c(cnc2Br)CN1
InChIInChI=1S/C8H10BrN3O2/c9-8-11-3-6-2-10-5(1-7(13)14)4-12(6)8/h3,5,10H,1-2,4H2,(H,13,14)
InChIKeyXEWZFAQWTWMNQI-UHFFFAOYSA-N
XLogP0.59
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)acetic acid
CID 83865310
2-[1-(6-oxo-1H-pyrazine-3-carbonyl)azetidin-3-yl]acetic acid
CID 64605803
2-(7-chloro-1,2,3,4-tetrahydroisoquinolin-3-yl)acetic acid
CID 105483472
2-[1-(6-fluoro-3-pyridinyl)azetidin-3-yl]acetic acid
CID 140830590
2-(1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl)acetic acid
CID 83867591
2-bromo-3-ethylimidazole-4-carboxylic acid
CID 83486435
2-[(2S)-4-oxoazetidin-2-yl]acetic acid
CID 12795461
(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-6-yl)methanol
CID 84661188
2-(3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)acetic acid
CID 83825730
2-[1-(5-bromo-2-chloropyridine-3-carbonyl)azetidin-3-yl]acetic acid
CID 114036802
2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxylic acid
CID 84657825
3-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 117147809

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-6-yl)acetic acid?
The IUPAC name of 2-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-6-yl)acetic acid (CID 83488671) is 2-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-6-yl)acetic acid.
What is the SMILES notation for 2-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-6-yl)acetic acid?
The canonical SMILES for 2-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-6-yl)acetic acid is O=C(O)CC1Cn2c(cnc2Br)CN1.
What is the InChIKey of 2-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-6-yl)acetic acid?
The InChIKey is XEWZFAQWTWMNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c9-8-11-3-6-2-10-5(1-7(13)14)4-12(6)8/h3,5,10H,1-2,4H2,(H,13,14).
What are the key properties of 2-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-6-yl)acetic acid?
2-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-6-yl)acetic acid has a molecular weight of 260.09 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-6-yl)acetic acid is sourced from PubChem (CID 83488671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).