4-chloro-2-ethyl-5-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazin-3-one

C12H17ClN4O — CID 114694657

IUPAC4-chloro-2-ethyl-5-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazin-3-one
SMILESCCn1ncc(NCC2=CCNCC2)c(Cl)c1=O
InChIInChI=1S/C12H17ClN4O/c1-2-17-12(18)11(13)10(8-16-17)15-7-9-3-5-14-6-4-9/h3,8,14-15H,2,4-7H2,1H3
InChIKeyOLTNJFNEKOPVGL-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.25
Rot. Bonds4

About 4-chloro-2-ethyl-5-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazin-3-one

4-chloro-2-ethyl-5-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazin-3-one (PubChem CID 114694657) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazin-3-one
PubChem CID114694657
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name4-chloro-2-ethyl-5-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazin-3-one
SMILESCCn1ncc(NCC2=CCNCC2)c(Cl)c1=O
InChIInChI=1S/C12H17ClN4O/c1-2-17-12(18)11(13)10(8-16-17)15-7-9-3-5-14-6-4-9/h3,8,14-15H,2,4-7H2,1H3
InChIKeyOLTNJFNEKOPVGL-UHFFFAOYSA-N
XLogP1.25
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(2-methylpropyl)-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridazin-3-one
CID 107489264
4-chloro-2-(2-methoxyethyl)-5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridazin-3-one
CID 107488362
4-bromo-2-methyl-5-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazin-3-one
CID 114694720
4-[[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]methyl]benzonitrile
CID 114434042
4-chloro-2-ethyl-5-(1,2,3,4-tetrahydroisoquinolin-5-ylamino)pyridazin-3-one
CID 114446525
5-[2-(azepan-1-yl)ethylamino]-4-chloro-2-ethylpyridazin-3-one
CID 114434960
3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-2,2-dimethylpropanamide
CID 114167431
4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one
CID 114437248
5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-ethylpyridazin-3-one
CID 114444519
4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one
CID 114432236
4-chloro-5-[(1-cyclopropylcyclopropyl)methylamino]-2-ethylpyridazin-3-one
CID 114096448
5-[(3-amino-2,2-difluoropropyl)amino]-4-chloro-2-ethylpyridazin-3-one
CID 114447360

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazin-3-one (CID 114694657) is 4-chloro-2-ethyl-5-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazin-3-one is CCn1ncc(NCC2=CCNCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-ethyl-5-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazin-3-one?
The InChIKey is OLTNJFNEKOPVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-2-17-12(18)11(13)10(8-16-17)15-7-9-3-5-14-6-4-9/h3,8,14-15H,2,4-7H2,1H3.
What are the key properties of 4-chloro-2-ethyl-5-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazin-3-one?
4-chloro-2-ethyl-5-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazin-3-one has a molecular weight of 268.75 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazin-3-one is sourced from PubChem (CID 114694657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).