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

C15H18ClN3O2 — CID 114433908

IUPAC4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCc2cccc(OC)c2)c(Cl)c1=O
InChIInChI=1S/C15H18ClN3O2/c1-3-7-19-15(20)14(16)13(10-18-19)17-9-11-5-4-6-12(8-11)21-2/h4-6,8,10,17H,3,7,9H2,1-2H3
InChIKeyJZNXSLCYRPEDAG-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.93
Rot. Bonds6

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

4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one (PubChem CID 114433908) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one
PubChem CID114433908
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCc2cccc(OC)c2)c(Cl)c1=O
InChIInChI=1S/C15H18ClN3O2/c1-3-7-19-15(20)14(16)13(10-18-19)17-9-11-5-4-6-12(8-11)21-2/h4-6,8,10,17H,3,7,9H2,1-2H3
InChIKeyJZNXSLCYRPEDAG-UHFFFAOYSA-N
XLogP2.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[(2-methoxy-4-pyridinyl)methylamino]-2-propylpyridazin-3-one
CID 114437534
4-chloro-5-[(3-chlorophenyl)methylamino]-2-ethylpyridazin-3-one
CID 114437248
4-chloro-5-[3-(2-ethyl-4-methoxyphenoxy)propylamino]-2-propylpyridazin-3-one
CID 154277463
4-bromo-5-[(3-fluorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114432815
4-[[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]methyl]-N,N-dipropylbenzamide
CID 172746090
5-[(5-bromo-2-fluorophenyl)methylamino]-4-chloro-2-propylpyridazin-3-one
CID 114435119
(2R,5S,7S)-1-[5-chloro-4-[(3-methoxyphenyl)methylamino]-6-oxopyridazin-1-yl]adamantane-2-carboxylic acid
CID 124766528
N-[(3-methoxyphenyl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126965644
4-chloro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-propylpyridazin-3-one
CID 106373847
5-[2-(benzylamino)ethylamino]-2-butyl-4-chloropyridazin-3-one
CID 15581001
2,4,5-trichloro-N-[(3-methoxyphenyl)methyl]aniline
CID 29266547
4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
CID 114437685

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one (CID 114433908) is 4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one is CCCn1ncc(NCc2cccc(OC)c2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one?
The InChIKey is JZNXSLCYRPEDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-7-19-15(20)14(16)13(10-18-19)17-9-11-5-4-6-12(8-11)21-2/h4-6,8,10,17H,3,7,9H2,1-2H3.
What are the key properties of 4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one?
4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one has a molecular weight of 307.78 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one is sourced from PubChem (CID 114433908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).