4-chloro-2-ethyl-5-(oxolan-3-ylamino)pyridazin-3-one

C10H14ClN3O2 — CID 114440472

IUPAC4-chloro-2-ethyl-5-(oxolan-3-ylamino)pyridazin-3-one
SMILESCCn1ncc(NC2CCOC2)c(Cl)c1=O
InChIInChI=1S/C10H14ClN3O2/c1-2-14-10(15)9(11)8(5-12-14)13-7-3-4-16-6-7/h5,7,13H,2-4,6H2,1H3
InChIKeyDFDWOIYCWGBOHU-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.12
Rot. Bonds3

About 4-chloro-2-ethyl-5-(oxolan-3-ylamino)pyridazin-3-one

4-chloro-2-ethyl-5-(oxolan-3-ylamino)pyridazin-3-one (PubChem CID 114440472) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-(oxolan-3-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-(oxolan-3-ylamino)pyridazin-3-one
PubChem CID114440472
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name4-chloro-2-ethyl-5-(oxolan-3-ylamino)pyridazin-3-one
SMILESCCn1ncc(NC2CCOC2)c(Cl)c1=O
InChIInChI=1S/C10H14ClN3O2/c1-2-14-10(15)9(11)8(5-12-14)13-7-3-4-16-6-7/h5,7,13H,2-4,6H2,1H3
InChIKeyDFDWOIYCWGBOHU-UHFFFAOYSA-N
XLogP1.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one
CID 114443011
4-chloro-2-ethyl-5-[(4-ethylcyclohexyl)amino]pyridazin-3-one
CID 114435432
4-chloro-2-ethyl-5-[(1-ethylpiperidin-4-yl)amino]pyridazin-3-one
CID 114434740
4-chloro-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106191860
4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one
CID 121476463
4-bromo-2-butyl-5-(oxolan-3-ylamino)pyridazin-3-one
CID 114440486
4-chloro-2-ethyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridazin-3-one
CID 114436972
4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-ethylpyridazin-3-one
CID 114439119
4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one
CID 114437060
5-[(2-aminocycloheptyl)amino]-4-chloro-2-ethylpyridazin-3-one
CID 114444887
4-chloro-5-[(1,3-dimethylpiperidin-4-yl)amino]-2-ethylpyridazin-3-one
CID 114504703
2-butyl-4-chloro-5-(thian-4-ylamino)pyridazin-3-one
CID 114443013

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-(oxolan-3-ylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-(oxolan-3-ylamino)pyridazin-3-one (CID 114440472) is 4-chloro-2-ethyl-5-(oxolan-3-ylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-(oxolan-3-ylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-(oxolan-3-ylamino)pyridazin-3-one is CCn1ncc(NC2CCOC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-ethyl-5-(oxolan-3-ylamino)pyridazin-3-one?
The InChIKey is DFDWOIYCWGBOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-2-14-10(15)9(11)8(5-12-14)13-7-3-4-16-6-7/h5,7,13H,2-4,6H2,1H3.
What are the key properties of 4-chloro-2-ethyl-5-(oxolan-3-ylamino)pyridazin-3-one?
4-chloro-2-ethyl-5-(oxolan-3-ylamino)pyridazin-3-one has a molecular weight of 243.69 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-(oxolan-3-ylamino)pyridazin-3-one is sourced from PubChem (CID 114440472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).