4-chloro-5-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpyridazin-3-one

C14H16ClN3O2 — CID 115612275

IUPAC4-chloro-5-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpyridazin-3-one
SMILESCn1ncc(NC(CO)Cc2ccccc2)c(Cl)c1=O
InChIInChI=1S/C14H16ClN3O2/c1-18-14(20)13(15)12(8-16-18)17-11(9-19)7-10-5-3-2-4-6-10/h2-6,8,11,17,19H,7,9H2,1H3
InChIKeyRYOPPYYUTNVVIX-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.45
Rot. Bonds5

About 4-chloro-5-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpyridazin-3-one

4-chloro-5-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpyridazin-3-one (PubChem CID 115612275) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-chloro-5-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpyridazin-3-one
PubChem CID115612275
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name4-chloro-5-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpyridazin-3-one
SMILESCn1ncc(NC(CO)Cc2ccccc2)c(Cl)c1=O
InChIInChI=1S/C14H16ClN3O2/c1-18-14(20)13(15)12(8-16-18)17-11(9-19)7-10-5-3-2-4-6-10/h2-6,8,11,17,19H,7,9H2,1H3
InChIKeyRYOPPYYUTNVVIX-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N,N-dimethyl-3-phenylpropanamide
CID 97327707
tert-butyl 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-3-phenylpropanoate
CID 133452930
4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
CID 33286649
4-chloro-5-[[(2S)-1-hydroxybutan-2-yl]amino]-2-phenylpyridazin-3-one
CID 133434585
4-chloro-5-(1-hydroxybutan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114433179
4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one
CID 47174554
3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one
CID 63260482
4-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-methylpyridazin-3-one
CID 115624779
2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 55346837
4-chloro-2-methyl-5-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridazin-3-one
CID 133302491
4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one
CID 115644108
4-chloro-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114435007

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpyridazin-3-one (CID 115612275) is 4-chloro-5-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpyridazin-3-one is Cn1ncc(NC(CO)Cc2ccccc2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpyridazin-3-one?
The InChIKey is RYOPPYYUTNVVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-18-14(20)13(15)12(8-16-18)17-11(9-19)7-10-5-3-2-4-6-10/h2-6,8,11,17,19H,7,9H2,1H3.
What are the key properties of 4-chloro-5-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpyridazin-3-one?
4-chloro-5-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpyridazin-3-one has a molecular weight of 293.75 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 115612275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).