[(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]carbamic acid

C9H11FN4O2 — CID 129161446

IUPAC[(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCN(c2ccc(F)nn2)C1
InChIInChI=1S/C9H11FN4O2/c10-7-1-2-8(13-12-7)14-4-3-6(5-14)11-9(15)16/h1-2,6,11H,3-5H2,(H,15,16)/t6-/m1/s1
InChIKeyBLIABOKIMUHKOK-ZCFIWIBFSA-N
MW226.21 g/mol
LogP0.46
Rot. Bonds2

About [(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]carbamic acid

[(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]carbamic acid (PubChem CID 129161446) has the molecular formula C9H11FN4O2 and a molecular weight of 226.21 g/mol. Its IUPAC name is [(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
PubChem CID129161446
Molecular FormulaC9H11FN4O2
Molecular Weight226.21 g/mol
Exact Mass226.09
IUPAC Name[(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCN(c2ccc(F)nn2)C1
InChIInChI=1S/C9H11FN4O2/c10-7-1-2-8(13-12-7)14-4-3-6(5-14)11-9(15)16/h1-2,6,11H,3-5H2,(H,15,16)/t6-/m1/s1
InChIKeyBLIABOKIMUHKOK-ZCFIWIBFSA-N
XLogP0.46
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]carbamic acid (CID 129161446) is [(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]carbamic acid is O=C(O)N[C@@H]1CCN(c2ccc(F)nn2)C1.
What is the InChIKey of [(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]carbamic acid?
The InChIKey is BLIABOKIMUHKOK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11FN4O2/c10-7-1-2-8(13-12-7)14-4-3-6(5-14)11-9(15)16/h1-2,6,11H,3-5H2,(H,15,16)/t6-/m1/s1.
What are the key properties of [(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]carbamic acid?
[(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]carbamic acid has a molecular weight of 226.21 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(6-fluoropyridazin-3-yl)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 129161446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).