4-chloro-2-methyl-5-[(2-methyloxolan-3-yl)amino]pyridazin-3-one

C10H14ClN3O2 — CID 115868829

IUPAC4-chloro-2-methyl-5-[(2-methyloxolan-3-yl)amino]pyridazin-3-one
SMILESCC1OCCC1Nc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C10H14ClN3O2/c1-6-7(3-4-16-6)13-8-5-12-14(2)10(15)9(8)11/h5-7,13H,3-4H2,1-2H3
InChIKeyPSFJCKDZZASOJK-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.02
Rot. Bonds2

About 4-chloro-2-methyl-5-[(2-methyloxolan-3-yl)amino]pyridazin-3-one

4-chloro-2-methyl-5-[(2-methyloxolan-3-yl)amino]pyridazin-3-one (PubChem CID 115868829) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[(2-methyloxolan-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[(2-methyloxolan-3-yl)amino]pyridazin-3-one
PubChem CID115868829
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name4-chloro-2-methyl-5-[(2-methyloxolan-3-yl)amino]pyridazin-3-one
SMILESCC1OCCC1Nc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C10H14ClN3O2/c1-6-7(3-4-16-6)13-8-5-12-14(2)10(15)9(8)11/h5-7,13H,3-4H2,1-2H3
InChIKeyPSFJCKDZZASOJK-UHFFFAOYSA-N
XLogP1.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[(2-methyloxolan-3-yl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[(2-methyloxolan-3-yl)amino]pyridazin-3-one (CID 115868829) is 4-chloro-2-methyl-5-[(2-methyloxolan-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[(2-methyloxolan-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[(2-methyloxolan-3-yl)amino]pyridazin-3-one is CC1OCCC1Nc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-methyl-5-[(2-methyloxolan-3-yl)amino]pyridazin-3-one?
The InChIKey is PSFJCKDZZASOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-6-7(3-4-16-6)13-8-5-12-14(2)10(15)9(8)11/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-[(2-methyloxolan-3-yl)amino]pyridazin-3-one?
4-chloro-2-methyl-5-[(2-methyloxolan-3-yl)amino]pyridazin-3-one has a molecular weight of 243.69 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[(2-methyloxolan-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 115868829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).