4-chloro-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one

C14H24ClN3O2 — CID 114435007

IUPAC4-chloro-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)CC(CO)Nc1cnn(CC(C)C)c(=O)c1Cl
InChIInChI=1S/C14H24ClN3O2/c1-9(2)5-11(8-19)17-12-6-16-18(7-10(3)4)14(20)13(12)15/h6,9-11,17,19H,5,7-8H2,1-4H3
InChIKeyFUJWGNUXFDXMKW-UHFFFAOYSA-N
MW301.82 g/mol
LogP2.37
Rot. Bonds7

About 4-chloro-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one

4-chloro-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 114435007) has the molecular formula C14H24ClN3O2 and a molecular weight of 301.82 g/mol. Its IUPAC name is 4-chloro-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
PubChem CID114435007
Molecular FormulaC14H24ClN3O2
Molecular Weight301.82 g/mol
Exact Mass301.16
IUPAC Name4-chloro-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)CC(CO)Nc1cnn(CC(C)C)c(=O)c1Cl
InChIInChI=1S/C14H24ClN3O2/c1-9(2)5-11(8-19)17-12-6-16-18(7-10(3)4)14(20)13(12)15/h6,9-11,17,19H,5,7-8H2,1-4H3
InChIKeyFUJWGNUXFDXMKW-UHFFFAOYSA-N
XLogP2.37
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-(5-methylhexan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114438260
4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439436
2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
CID 114435408
4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114266993
4-chloro-5-(1-hydroxybutan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114433179
4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114443172
4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114439437
4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114440326
methyl 2-[4-[(1-amino-4-methylpentan-2-yl)amino]-5-chloro-6-oxopyridazin-1-yl]acetate
CID 114445256
4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114439421
4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136715

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one (CID 114435007) is 4-chloro-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one is CC(C)CC(CO)Nc1cnn(CC(C)C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is FUJWGNUXFDXMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2/c1-9(2)5-11(8-19)17-12-6-16-18(7-10(3)4)14(20)13(12)15/h6,9-11,17,19H,5,7-8H2,1-4H3.
What are the key properties of 4-chloro-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one?
4-chloro-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 301.82 g/mol, XLogP of 2.37, 7 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-4-methylpentan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114435007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).