4-chloro-2-(2-hydroxyethyl)-5-[(2-phenylcyclopropyl)amino]pyridazin-3-one

C15H16ClN3O2 — CID 114436308

IUPAC4-chloro-2-(2-hydroxyethyl)-5-[(2-phenylcyclopropyl)amino]pyridazin-3-one
SMILESO=c1c(Cl)c(NC2CC2c2ccccc2)cnn1CCO
InChIInChI=1S/C15H16ClN3O2/c16-14-13(9-17-19(6-7-20)15(14)21)18-12-8-11(12)10-4-2-1-3-5-10/h1-5,9,11-12,18,20H,6-8H2
InChIKeySFAUXDWEIYKOGI-UHFFFAOYSA-N
MW305.77 g/mol
LogP1.86
Rot. Bonds5

About 4-chloro-2-(2-hydroxyethyl)-5-[(2-phenylcyclopropyl)amino]pyridazin-3-one

4-chloro-2-(2-hydroxyethyl)-5-[(2-phenylcyclopropyl)amino]pyridazin-3-one (PubChem CID 114436308) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-chloro-2-(2-hydroxyethyl)-5-[(2-phenylcyclopropyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-hydroxyethyl)-5-[(2-phenylcyclopropyl)amino]pyridazin-3-one
PubChem CID114436308
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name4-chloro-2-(2-hydroxyethyl)-5-[(2-phenylcyclopropyl)amino]pyridazin-3-one
SMILESO=c1c(Cl)c(NC2CC2c2ccccc2)cnn1CCO
InChIInChI=1S/C15H16ClN3O2/c16-14-13(9-17-19(6-7-20)15(14)21)18-12-8-11(12)10-4-2-1-3-5-10/h1-5,9,11-12,18,20H,6-8H2
InChIKeySFAUXDWEIYKOGI-UHFFFAOYSA-N
XLogP1.86
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(2-hydroxyethyl)-5-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazin-3-one
CID 106362266
4-chloro-5-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114436048
4-chloro-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114439006
4-chloro-5-(2,2-dicyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439507
4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114440175
4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439436
4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 114431361
4-chloro-2-(2-hydroxyethyl)-5-[(1-methylcyclopropyl)amino]pyridazin-3-one
CID 114442535
4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114433340
5-(benzylamino)-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one
CID 114432062
2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one
CID 114439715
2-(2-hydroxyethyl)-N-[(1R,2S)-2-phenylcyclopropyl]pyrazole-3-carboxamide
CID 119069614

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-[(2-phenylcyclopropyl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-[(2-phenylcyclopropyl)amino]pyridazin-3-one (CID 114436308) is 4-chloro-2-(2-hydroxyethyl)-5-[(2-phenylcyclopropyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-hydroxyethyl)-5-[(2-phenylcyclopropyl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-hydroxyethyl)-5-[(2-phenylcyclopropyl)amino]pyridazin-3-one is O=c1c(Cl)c(NC2CC2c2ccccc2)cnn1CCO.
What is the InChIKey of 4-chloro-2-(2-hydroxyethyl)-5-[(2-phenylcyclopropyl)amino]pyridazin-3-one?
The InChIKey is SFAUXDWEIYKOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-14-13(9-17-19(6-7-20)15(14)21)18-12-8-11(12)10-4-2-1-3-5-10/h1-5,9,11-12,18,20H,6-8H2.
What are the key properties of 4-chloro-2-(2-hydroxyethyl)-5-[(2-phenylcyclopropyl)amino]pyridazin-3-one?
4-chloro-2-(2-hydroxyethyl)-5-[(2-phenylcyclopropyl)amino]pyridazin-3-one has a molecular weight of 305.77 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-hydroxyethyl)-5-[(2-phenylcyclopropyl)amino]pyridazin-3-one is sourced from PubChem (CID 114436308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).