5-chloro-4-[[(3R)-oxan-3-yl]methylamino]-1H-pyridazin-6-one

C10H14ClN3O2 — CID 168962962

IUPAC5-chloro-4-[[(3R)-oxan-3-yl]methylamino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC[C@H]2CCCOC2)c1Cl
InChIInChI=1S/C10H14ClN3O2/c11-9-8(5-13-14-10(9)15)12-4-7-2-1-3-16-6-7/h5,7H,1-4,6H2,(H2,12,14,15)/t7-/m1/s1
InChIKeyYXXRXMQDROWTLS-SSDOTTSWSA-N
MW243.69 g/mol
LogP1.26
Rot. Bonds3

About 5-chloro-4-[[(3R)-oxan-3-yl]methylamino]-1H-pyridazin-6-one

5-chloro-4-[[(3R)-oxan-3-yl]methylamino]-1H-pyridazin-6-one (PubChem CID 168962962) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-4-[[(3R)-oxan-3-yl]methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[(3R)-oxan-3-yl]methylamino]-1H-pyridazin-6-one
PubChem CID168962962
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name5-chloro-4-[[(3R)-oxan-3-yl]methylamino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC[C@H]2CCCOC2)c1Cl
InChIInChI=1S/C10H14ClN3O2/c11-9-8(5-13-14-10(9)15)12-4-7-2-1-3-16-6-7/h5,7H,1-4,6H2,(H2,12,14,15)/t7-/m1/s1
InChIKeyYXXRXMQDROWTLS-SSDOTTSWSA-N
XLogP1.26
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[(3R)-oxan-3-yl]methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[(3R)-oxan-3-yl]methylamino]-1H-pyridazin-6-one (CID 168962962) is 5-chloro-4-[[(3R)-oxan-3-yl]methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[(3R)-oxan-3-yl]methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[(3R)-oxan-3-yl]methylamino]-1H-pyridazin-6-one is O=c1[nH]ncc(NC[C@H]2CCCOC2)c1Cl.
What is the InChIKey of 5-chloro-4-[[(3R)-oxan-3-yl]methylamino]-1H-pyridazin-6-one?
The InChIKey is YXXRXMQDROWTLS-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c11-9-8(5-13-14-10(9)15)12-4-7-2-1-3-16-6-7/h5,7H,1-4,6H2,(H2,12,14,15)/t7-/m1/s1.
What are the key properties of 5-chloro-4-[[(3R)-oxan-3-yl]methylamino]-1H-pyridazin-6-one?
5-chloro-4-[[(3R)-oxan-3-yl]methylamino]-1H-pyridazin-6-one has a molecular weight of 243.69 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(3R)-oxan-3-yl]methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 168962962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).