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

C10H14ClN3O2 — CID 103889245

IUPAC5-chloro-4-[(2-methyloxan-4-yl)amino]-1H-pyridazin-6-one
SMILESCC1CC(Nc2cn[nH]c(=O)c2Cl)CCO1
InChIInChI=1S/C10H14ClN3O2/c1-6-4-7(2-3-16-6)13-8-5-12-14-10(15)9(8)11/h5-7H,2-4H2,1H3,(H2,13,14,15)
InChIKeyKUQMYOYRQNZNLU-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.40
Rot. Bonds2

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

5-chloro-4-[(2-methyloxan-4-yl)amino]-1H-pyridazin-6-one (PubChem CID 103889245) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-4-[(2-methyloxan-4-yl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2-methyloxan-4-yl)amino]-1H-pyridazin-6-one
PubChem CID103889245
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name5-chloro-4-[(2-methyloxan-4-yl)amino]-1H-pyridazin-6-one
SMILESCC1CC(Nc2cn[nH]c(=O)c2Cl)CCO1
InChIInChI=1S/C10H14ClN3O2/c1-6-4-7(2-3-16-6)13-8-5-12-14-10(15)9(8)11/h5-7H,2-4H2,1H3,(H2,13,14,15)
InChIKeyKUQMYOYRQNZNLU-UHFFFAOYSA-N
XLogP1.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
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-methyloxan-4-yl)amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2-methyloxan-4-yl)amino]-1H-pyridazin-6-one (CID 103889245) is 5-chloro-4-[(2-methyloxan-4-yl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2-methyloxan-4-yl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2-methyloxan-4-yl)amino]-1H-pyridazin-6-one is CC1CC(Nc2cn[nH]c(=O)c2Cl)CCO1.
What is the InChIKey of 5-chloro-4-[(2-methyloxan-4-yl)amino]-1H-pyridazin-6-one?
The InChIKey is KUQMYOYRQNZNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-6-4-7(2-3-16-6)13-8-5-12-14-10(15)9(8)11/h5-7H,2-4H2,1H3,(H2,13,14,15).
What are the key properties of 5-chloro-4-[(2-methyloxan-4-yl)amino]-1H-pyridazin-6-one?
5-chloro-4-[(2-methyloxan-4-yl)amino]-1H-pyridazin-6-one has a molecular weight of 243.69 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-methyloxan-4-yl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 103889245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).