5-chloro-4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-1H-pyridazin-6-one

C13H14ClN3O2 — CID 41195971

IUPAC5-chloro-4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-1H-pyridazin-6-one
SMILESCOc1ccccc1[C@@H](C)Nc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C13H14ClN3O2/c1-8(9-5-3-4-6-11(9)19-2)16-10-7-15-17-13(18)12(10)14/h3-8H,1-2H3,(H2,16,17,18)/t8-/m1/s1
InChIKeyDFNBGNWFVWAJPI-MRVPVSSYSA-N
MW279.73 g/mol
LogP2.61
Rot. Bonds4

About 5-chloro-4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-1H-pyridazin-6-one

5-chloro-4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-1H-pyridazin-6-one (PubChem CID 41195971) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-chloro-4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-1H-pyridazin-6-one
PubChem CID41195971
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name5-chloro-4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-1H-pyridazin-6-one
SMILESCOc1ccccc1[C@@H](C)Nc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C13H14ClN3O2/c1-8(9-5-3-4-6-11(9)19-2)16-10-7-15-17-13(18)12(10)14/h3-8H,1-2H3,(H2,16,17,18)/t8-/m1/s1
InChIKeyDFNBGNWFVWAJPI-MRVPVSSYSA-N
XLogP2.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43194707
4-[bis(3-methoxyphenyl)methylamino]-5-chloro-1H-pyridazin-6-one
CID 133356981
5-chloro-4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one
CID 79033864
5-chloro-4-(3,3-dimethylbutan-2-ylamino)-1H-pyridazin-6-one
CID 104828828
2,4-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43103375
2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43107869
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
5-chloro-4-[3-(3,4-dimethoxyphenyl)propylamino]-1H-pyridazin-6-one
CID 48557349
5-chloro-4-[2-(2-chlorophenoxy)butylamino]-1H-pyridazin-6-one
CID 71978649
5-chloro-4-(pent-4-yn-2-ylamino)-1H-pyridazin-6-one
CID 115658824
5-bromo-4-[1-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one
CID 114385970
5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one
CID 78990669

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-1H-pyridazin-6-one (CID 41195971) is 5-chloro-4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-1H-pyridazin-6-one is COc1ccccc1[C@@H](C)Nc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-1H-pyridazin-6-one?
The InChIKey is DFNBGNWFVWAJPI-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-8(9-5-3-4-6-11(9)19-2)16-10-7-15-17-13(18)12(10)14/h3-8H,1-2H3,(H2,16,17,18)/t8-/m1/s1.
What are the key properties of 5-chloro-4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-1H-pyridazin-6-one?
5-chloro-4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-1H-pyridazin-6-one has a molecular weight of 279.73 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-1H-pyridazin-6-one is sourced from PubChem (CID 41195971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).