4-chloro-5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one

C12H14ClN3O3 — CID 133323930

IUPAC4-chloro-5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one
SMILESCn1ncc(NCC(C)(O)c2ccco2)c(Cl)c1=O
InChIInChI=1S/C12H14ClN3O3/c1-12(18,9-4-3-5-19-9)7-14-8-6-15-16(2)11(17)10(8)13/h3-6,14,18H,7H2,1-2H3
InChIKeyCHDPHEGLSWVCRE-UHFFFAOYSA-N
MW283.72 g/mol
LogP1.35
Rot. Bonds4

About 4-chloro-5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one

4-chloro-5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one (PubChem CID 133323930) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.72 g/mol. Its IUPAC name is 4-chloro-5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one
PubChem CID133323930
Molecular FormulaC12H14ClN3O3
Molecular Weight283.72 g/mol
Exact Mass283.07
IUPAC Name4-chloro-5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one
SMILESCn1ncc(NCC(C)(O)c2ccco2)c(Cl)c1=O
InChIInChI=1S/C12H14ClN3O3/c1-12(18,9-4-3-5-19-9)7-14-8-6-15-16(2)11(17)10(8)13/h3-6,14,18H,7H2,1-2H3
InChIKeyCHDPHEGLSWVCRE-UHFFFAOYSA-N
XLogP1.35
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-[(2,3-dihydroxy-2-methylpropyl)amino]-2-methylpyridazin-3-one
CID 114417844
4-chloro-2-methyl-5-[(2-methyl-2-phenylpropyl)amino]pyridazin-3-one
CID 47174554
4-chloro-2-methyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 113222234
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
4-chloro-2-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridazin-3-one
CID 47149136
4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one
CID 115644108
4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
CID 33286649
4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-methylpyridazin-3-one
CID 115681090
4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one
CID 103525314
4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
CID 47281719
4-chloro-5-[[2-(2-chlorophenyl)-2-hydroxypropyl]amino]-2-phenylpyridazin-3-one
CID 133472201
2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol
CID 133323796

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one (CID 133323930) is 4-chloro-5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one is Cn1ncc(NCC(C)(O)c2ccco2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one?
The InChIKey is CHDPHEGLSWVCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c1-12(18,9-4-3-5-19-9)7-14-8-6-15-16(2)11(17)10(8)13/h3-6,14,18H,7H2,1-2H3.
What are the key properties of 4-chloro-5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one?
4-chloro-5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one has a molecular weight of 283.72 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 133323930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).