2-[3-(pyridazin-3-ylmethylamino)azetidin-3-yl]acetic acid

C10H14N4O2 — CID 107143252

IUPAC2-[3-(pyridazin-3-ylmethylamino)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NCc2cccnn2)CNC1
InChIInChI=1S/C10H14N4O2/c15-9(16)4-10(6-11-7-10)12-5-8-2-1-3-13-14-8/h1-3,11-12H,4-7H2,(H,15,16)
InChIKeyIMXOBPQBKRCZPH-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.62
Rot. Bonds5

About 2-[3-(pyridazin-3-ylmethylamino)azetidin-3-yl]acetic acid

2-[3-(pyridazin-3-ylmethylamino)azetidin-3-yl]acetic acid (PubChem CID 107143252) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-[3-(pyridazin-3-ylmethylamino)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(pyridazin-3-ylmethylamino)azetidin-3-yl]acetic acid
PubChem CID107143252
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-[3-(pyridazin-3-ylmethylamino)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NCc2cccnn2)CNC1
InChIInChI=1S/C10H14N4O2/c15-9(16)4-10(6-11-7-10)12-5-8-2-1-3-13-14-8/h1-3,11-12H,4-7H2,(H,15,16)
InChIKeyIMXOBPQBKRCZPH-UHFFFAOYSA-N
XLogP-0.62
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]azetidin-3-yl]acetic acid
CID 107142608
N-(pyridazin-3-ylmethyl)azetidine-3-carboxamide
CID 106896192
3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106896186
1-benzyl-3-(pyridazin-3-ylmethyl)urea
CID 106831656
2-[3-[(2,4-difluorophenyl)methylamino]azetidin-3-yl]acetic acid
CID 107142600
2-[3-[(3-methylthiophen-2-yl)methylamino]azetidin-3-yl]acetic acid
CID 107142925
2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid
CID 107143104
1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106897054
2-[[2-(pyridazin-3-ylmethylcarbamoylamino)acetyl]amino]acetic acid
CID 106897218
3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide
CID 106896221
2-[1-(methylamino)cyclohexyl]-N-(pyridazin-3-ylmethyl)acetamide
CID 106896114
(2S)-2-(pyridazin-3-ylmethylcarbamoylamino)butanedioic acid
CID 106897236

Frequently Asked Questions

What is the IUPAC name of 2-[3-(pyridazin-3-ylmethylamino)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(pyridazin-3-ylmethylamino)azetidin-3-yl]acetic acid (CID 107143252) is 2-[3-(pyridazin-3-ylmethylamino)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(pyridazin-3-ylmethylamino)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(pyridazin-3-ylmethylamino)azetidin-3-yl]acetic acid is O=C(O)CC1(NCc2cccnn2)CNC1.
What is the InChIKey of 2-[3-(pyridazin-3-ylmethylamino)azetidin-3-yl]acetic acid?
The InChIKey is IMXOBPQBKRCZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c15-9(16)4-10(6-11-7-10)12-5-8-2-1-3-13-14-8/h1-3,11-12H,4-7H2,(H,15,16).
What are the key properties of 2-[3-(pyridazin-3-ylmethylamino)azetidin-3-yl]acetic acid?
2-[3-(pyridazin-3-ylmethylamino)azetidin-3-yl]acetic acid has a molecular weight of 222.25 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyridazin-3-ylmethylamino)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107143252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).