5-chloro-4-[(2-cyclopropyloxolan-3-yl)amino]-1H-pyridazin-6-one

C11H14ClN3O2 — CID 103864003

IUPAC5-chloro-4-[(2-cyclopropyloxolan-3-yl)amino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC2CCOC2C2CC2)c1Cl
InChIInChI=1S/C11H14ClN3O2/c12-9-8(5-13-15-11(9)16)14-7-3-4-17-10(7)6-1-2-6/h5-7,10H,1-4H2,(H2,14,15,16)
InChIKeyPTHLBWPYFLZSHS-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.40
Rot. Bonds3

About 5-chloro-4-[(2-cyclopropyloxolan-3-yl)amino]-1H-pyridazin-6-one

5-chloro-4-[(2-cyclopropyloxolan-3-yl)amino]-1H-pyridazin-6-one (PubChem CID 103864003) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 5-chloro-4-[(2-cyclopropyloxolan-3-yl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2-cyclopropyloxolan-3-yl)amino]-1H-pyridazin-6-one
PubChem CID103864003
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name5-chloro-4-[(2-cyclopropyloxolan-3-yl)amino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC2CCOC2C2CC2)c1Cl
InChIInChI=1S/C11H14ClN3O2/c12-9-8(5-13-15-11(9)16)14-7-3-4-17-10(7)6-1-2-6/h5-7,10H,1-4H2,(H2,14,15,16)
InChIKeyPTHLBWPYFLZSHS-UHFFFAOYSA-N
XLogP1.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-cyclopropyloxolan-3-yl)amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2-cyclopropyloxolan-3-yl)amino]-1H-pyridazin-6-one (CID 103864003) is 5-chloro-4-[(2-cyclopropyloxolan-3-yl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2-cyclopropyloxolan-3-yl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2-cyclopropyloxolan-3-yl)amino]-1H-pyridazin-6-one is O=c1[nH]ncc(NC2CCOC2C2CC2)c1Cl.
What is the InChIKey of 5-chloro-4-[(2-cyclopropyloxolan-3-yl)amino]-1H-pyridazin-6-one?
The InChIKey is PTHLBWPYFLZSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-9-8(5-13-15-11(9)16)14-7-3-4-17-10(7)6-1-2-6/h5-7,10H,1-4H2,(H2,14,15,16).
What are the key properties of 5-chloro-4-[(2-cyclopropyloxolan-3-yl)amino]-1H-pyridazin-6-one?
5-chloro-4-[(2-cyclopropyloxolan-3-yl)amino]-1H-pyridazin-6-one has a molecular weight of 255.70 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-cyclopropyloxolan-3-yl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 103864003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).