[(3R)-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamic acid

C9H12N4O3 — CID 156534107

IUPAC[(3R)-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C9H12N4O3/c14-8-3-7(4-10-12-8)13-2-1-6(5-13)11-9(15)16/h3-4,6,11H,1-2,5H2,(H,12,14)(H,15,16)/t6-/m1/s1
InChIKeyFTDIHCFNQSGPJF-ZCFIWIBFSA-N
MW224.22 g/mol
LogP-0.38
Rot. Bonds2

About [(3R)-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamic acid

[(3R)-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamic acid (PubChem CID 156534107) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is [(3R)-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamic acid
PubChem CID156534107
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name[(3R)-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C9H12N4O3/c14-8-3-7(4-10-12-8)13-2-1-6(5-13)11-9(15)16/h3-4,6,11H,1-2,5H2,(H,12,14)(H,15,16)/t6-/m1/s1
InChIKeyFTDIHCFNQSGPJF-ZCFIWIBFSA-N
XLogP-0.38
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamic acid (CID 156534107) is [(3R)-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamic acid is O=C(O)N[C@@H]1CCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of [(3R)-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamic acid?
The InChIKey is FTDIHCFNQSGPJF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12N4O3/c14-8-3-7(4-10-12-8)13-2-1-6(5-13)11-9(15)16/h3-4,6,11H,1-2,5H2,(H,12,14)(H,15,16)/t6-/m1/s1.
What are the key properties of [(3R)-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamic acid?
[(3R)-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamic acid has a molecular weight of 224.22 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 156534107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).