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

C12H16ClN3O2 — CID 133473763

IUPAC5-chloro-4-[(2-cyclopropyloxan-4-yl)amino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC2CCOC(C3CC3)C2)c1Cl
InChIInChI=1S/C12H16ClN3O2/c13-11-9(6-14-16-12(11)17)15-8-3-4-18-10(5-8)7-1-2-7/h6-8,10H,1-5H2,(H2,15,16,17)
InChIKeyBFNMDQRFZONMQK-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.79
Rot. Bonds3

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

5-chloro-4-[(2-cyclopropyloxan-4-yl)amino]-1H-pyridazin-6-one (PubChem CID 133473763) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 5-chloro-4-[(2-cyclopropyloxan-4-yl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2-cyclopropyloxan-4-yl)amino]-1H-pyridazin-6-one
PubChem CID133473763
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name5-chloro-4-[(2-cyclopropyloxan-4-yl)amino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NC2CCOC(C3CC3)C2)c1Cl
InChIInChI=1S/C12H16ClN3O2/c13-11-9(6-14-16-12(11)17)15-8-3-4-18-10(5-8)7-1-2-7/h6-8,10H,1-5H2,(H2,15,16,17)
InChIKeyBFNMDQRFZONMQK-UHFFFAOYSA-N
XLogP1.79
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.79
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-cyclopropyloxan-4-yl)amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2-cyclopropyloxan-4-yl)amino]-1H-pyridazin-6-one (CID 133473763) is 5-chloro-4-[(2-cyclopropyloxan-4-yl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2-cyclopropyloxan-4-yl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2-cyclopropyloxan-4-yl)amino]-1H-pyridazin-6-one is O=c1[nH]ncc(NC2CCOC(C3CC3)C2)c1Cl.
What is the InChIKey of 5-chloro-4-[(2-cyclopropyloxan-4-yl)amino]-1H-pyridazin-6-one?
The InChIKey is BFNMDQRFZONMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c13-11-9(6-14-16-12(11)17)15-8-3-4-18-10(5-8)7-1-2-7/h6-8,10H,1-5H2,(H2,15,16,17).
What are the key properties of 5-chloro-4-[(2-cyclopropyloxan-4-yl)amino]-1H-pyridazin-6-one?
5-chloro-4-[(2-cyclopropyloxan-4-yl)amino]-1H-pyridazin-6-one has a molecular weight of 269.73 g/mol, XLogP of 1.79, 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-cyclopropyloxan-4-yl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 133473763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).