5-chloro-4-[[(3S)-2-fluorooxan-3-yl]methylamino]-1H-pyridazin-6-one

C10H13ClFN3O2 — CID 168963265

IUPAC5-chloro-4-[[(3S)-2-fluorooxan-3-yl]methylamino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC[C@@H]2CCCOC2F)c1Cl
InChIInChI=1S/C10H13ClFN3O2/c11-8-7(5-14-15-10(8)16)13-4-6-2-1-3-17-9(6)12/h5-6,9H,1-4H2,(H2,13,15,16)/t6-,9?/m0/s1
InChIKeyOZIPZRYSEHRUTL-AADKRJSRSA-N
MW261.68 g/mol
LogP1.56
Rot. Bonds3

About 5-chloro-4-[[(3S)-2-fluorooxan-3-yl]methylamino]-1H-pyridazin-6-one

5-chloro-4-[[(3S)-2-fluorooxan-3-yl]methylamino]-1H-pyridazin-6-one (PubChem CID 168963265) has the molecular formula C10H13ClFN3O2 and a molecular weight of 261.68 g/mol. Its IUPAC name is 5-chloro-4-[[(3S)-2-fluorooxan-3-yl]methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[(3S)-2-fluorooxan-3-yl]methylamino]-1H-pyridazin-6-one
PubChem CID168963265
Molecular FormulaC10H13ClFN3O2
Molecular Weight261.68 g/mol
Exact Mass261.07
IUPAC Name5-chloro-4-[[(3S)-2-fluorooxan-3-yl]methylamino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC[C@@H]2CCCOC2F)c1Cl
InChIInChI=1S/C10H13ClFN3O2/c11-8-7(5-14-15-10(8)16)13-4-6-2-1-3-17-9(6)12/h5-6,9H,1-4H2,(H2,13,15,16)/t6-,9?/m0/s1
InChIKeyOZIPZRYSEHRUTL-AADKRJSRSA-N
XLogP1.56
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[(3S)-2-fluorooxan-3-yl]methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[(3S)-2-fluorooxan-3-yl]methylamino]-1H-pyridazin-6-one (CID 168963265) is 5-chloro-4-[[(3S)-2-fluorooxan-3-yl]methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[(3S)-2-fluorooxan-3-yl]methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[(3S)-2-fluorooxan-3-yl]methylamino]-1H-pyridazin-6-one is O=c1[nH]ncc(NC[C@@H]2CCCOC2F)c1Cl.
What is the InChIKey of 5-chloro-4-[[(3S)-2-fluorooxan-3-yl]methylamino]-1H-pyridazin-6-one?
The InChIKey is OZIPZRYSEHRUTL-AADKRJSRSA-N. The full InChI is InChI=1S/C10H13ClFN3O2/c11-8-7(5-14-15-10(8)16)13-4-6-2-1-3-17-9(6)12/h5-6,9H,1-4H2,(H2,13,15,16)/t6-,9?/m0/s1.
What are the key properties of 5-chloro-4-[[(3S)-2-fluorooxan-3-yl]methylamino]-1H-pyridazin-6-one?
5-chloro-4-[[(3S)-2-fluorooxan-3-yl]methylamino]-1H-pyridazin-6-one has a molecular weight of 261.68 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(3S)-2-fluorooxan-3-yl]methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 168963265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).