2-amino-2-(7-methylimidazo[1,5-b]pyridazin-5-yl)acetic acid

C9H10N4O2 — CID 84673991

IUPAC2-amino-2-(7-methylimidazo[1,5-b]pyridazin-5-yl)acetic acid
SMILESCc1nc(C(N)C(=O)O)c2cccnn12
InChIInChI=1S/C9H10N4O2/c1-5-12-8(7(10)9(14)15)6-3-2-4-11-13(5)6/h2-4,7H,10H2,1H3,(H,14,15)
InChIKeyGHROAEQCIXPPCD-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.12
Rot. Bonds2

About 2-amino-2-(7-methylimidazo[1,5-b]pyridazin-5-yl)acetic acid

2-amino-2-(7-methylimidazo[1,5-b]pyridazin-5-yl)acetic acid (PubChem CID 84673991) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-amino-2-(7-methylimidazo[1,5-b]pyridazin-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(7-methylimidazo[1,5-b]pyridazin-5-yl)acetic acid
PubChem CID84673991
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name2-amino-2-(7-methylimidazo[1,5-b]pyridazin-5-yl)acetic acid
SMILESCc1nc(C(N)C(=O)O)c2cccnn12
InChIInChI=1S/C9H10N4O2/c1-5-12-8(7(10)9(14)15)6-3-2-4-11-13(5)6/h2-4,7H,10H2,1H3,(H,14,15)
InChIKeyGHROAEQCIXPPCD-UHFFFAOYSA-N
XLogP0.12
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-iodo-7-methylimidazo[1,5-b]pyridazine
CID 130115034
2-amino-2-(7-chloroimidazo[1,2-b][1,2,4]triazin-6-yl)acetic acid
CID 83892971
2-amino-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)acetic acid
CID 83882240
2-amino-2-(2-hydroxypyrazol-3-yl)acetic acid
CID 11412520
2-amino-2-(3-methoxy-2-pyridinyl)acetic acid
CID 55295273
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170
2-amino-2-(1-methylindol-2-yl)acetic acid
CID 82658880
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848
2-amino-2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid
CID 83844924
2-amino-2-(1,6-dimethylindazol-3-yl)acetic acid
CID 83910246
2-amino-2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)acetic acid
CID 83832734

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(7-methylimidazo[1,5-b]pyridazin-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(7-methylimidazo[1,5-b]pyridazin-5-yl)acetic acid (CID 84673991) is 2-amino-2-(7-methylimidazo[1,5-b]pyridazin-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(7-methylimidazo[1,5-b]pyridazin-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(7-methylimidazo[1,5-b]pyridazin-5-yl)acetic acid is Cc1nc(C(N)C(=O)O)c2cccnn12.
What is the InChIKey of 2-amino-2-(7-methylimidazo[1,5-b]pyridazin-5-yl)acetic acid?
The InChIKey is GHROAEQCIXPPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-5-12-8(7(10)9(14)15)6-3-2-4-11-13(5)6/h2-4,7H,10H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-(7-methylimidazo[1,5-b]pyridazin-5-yl)acetic acid?
2-amino-2-(7-methylimidazo[1,5-b]pyridazin-5-yl)acetic acid has a molecular weight of 206.21 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(7-methylimidazo[1,5-b]pyridazin-5-yl)acetic acid is sourced from PubChem (CID 84673991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).