(2S)-2-propan-2-yl-4-pyridazin-3-ylmorpholine

C11H17N3O — CID 169082573

IUPAC(2S)-2-propan-2-yl-4-pyridazin-3-ylmorpholine
SMILESCC(C)[C@H]1CN(c2cccnn2)CCO1
InChIInChI=1S/C11H17N3O/c1-9(2)10-8-14(6-7-15-10)11-4-3-5-12-13-11/h3-5,9-10H,6-8H2,1-2H3/t10-/m1/s1
InChIKeyFYDGVYBVUDLQQX-SNVBAGLBSA-N
MW207.28 g/mol
LogP1.34
Rot. Bonds2

About (2S)-2-propan-2-yl-4-pyridazin-3-ylmorpholine

(2S)-2-propan-2-yl-4-pyridazin-3-ylmorpholine (PubChem CID 169082573) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2S)-2-propan-2-yl-4-pyridazin-3-ylmorpholine.

Molecular Properties

Compound Name(2S)-2-propan-2-yl-4-pyridazin-3-ylmorpholine
PubChem CID169082573
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2S)-2-propan-2-yl-4-pyridazin-3-ylmorpholine
SMILESCC(C)[C@H]1CN(c2cccnn2)CCO1
InChIInChI=1S/C11H17N3O/c1-9(2)10-8-14(6-7-15-10)11-4-3-5-12-13-11/h3-5,9-10H,6-8H2,1-2H3/t10-/m1/s1
InChIKeyFYDGVYBVUDLQQX-SNVBAGLBSA-N
XLogP1.34
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-propan-2-yl-4-pyridazin-3-ylmorpholine?
The IUPAC name of (2S)-2-propan-2-yl-4-pyridazin-3-ylmorpholine (CID 169082573) is (2S)-2-propan-2-yl-4-pyridazin-3-ylmorpholine.
What is the SMILES notation for (2S)-2-propan-2-yl-4-pyridazin-3-ylmorpholine?
The canonical SMILES for (2S)-2-propan-2-yl-4-pyridazin-3-ylmorpholine is CC(C)[C@H]1CN(c2cccnn2)CCO1.
What is the InChIKey of (2S)-2-propan-2-yl-4-pyridazin-3-ylmorpholine?
The InChIKey is FYDGVYBVUDLQQX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9(2)10-8-14(6-7-15-10)11-4-3-5-12-13-11/h3-5,9-10H,6-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (2S)-2-propan-2-yl-4-pyridazin-3-ylmorpholine?
(2S)-2-propan-2-yl-4-pyridazin-3-ylmorpholine has a molecular weight of 207.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-propan-2-yl-4-pyridazin-3-ylmorpholine is sourced from PubChem (CID 169082573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).