4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one

C14H16ClN3O2 — CID 114443493

IUPAC4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCc2ccc(O)cc2)c(Cl)c1=O
InChIInChI=1S/C14H16ClN3O2/c1-2-7-18-14(20)13(15)12(9-17-18)16-8-10-3-5-11(19)6-4-10/h3-6,9,16,19H,2,7-8H2,1H3
InChIKeyQLSIAESESDNMBV-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.62
Rot. Bonds5

About 4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one

4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one (PubChem CID 114443493) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one
PubChem CID114443493
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCc2ccc(O)cc2)c(Cl)c1=O
InChIInChI=1S/C14H16ClN3O2/c1-2-7-18-14(20)13(15)12(9-17-18)16-8-10-3-5-11(19)6-4-10/h3-6,9,16,19H,2,7-8H2,1H3
InChIKeyQLSIAESESDNMBV-UHFFFAOYSA-N
XLogP2.62
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]methyl]-N,N-dipropylbenzamide
CID 172746090
4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114433908
4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-propylpyridazin-3-one
CID 114437534
5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-ethylpyridazin-3-one
CID 114444519
4-[[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]methyl]benzonitrile
CID 114434042
4-chloro-5-(3-hydroxybutylamino)-2-propylpyridazin-3-one
CID 114439110
4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one
CID 103007686
4-chloro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-propylpyridazin-3-one
CID 106373847
4-bromo-5-[2-(4-hydroxyphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114434953
2-butyl-4-chloro-5-[(3-methylphenyl)methylamino]pyridazin-3-one
CID 114433970
4-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114434597
4-chloro-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-propylpyridazin-3-one
CID 106303437

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one (CID 114443493) is 4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one is CCCn1ncc(NCc2ccc(O)cc2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one?
The InChIKey is QLSIAESESDNMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-2-7-18-14(20)13(15)12(9-17-18)16-8-10-3-5-11(19)6-4-10/h3-6,9,16,19H,2,7-8H2,1H3.
What are the key properties of 4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one?
4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one has a molecular weight of 293.75 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one is sourced from PubChem (CID 114443493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).