4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one

C12H20ClN3O2 — CID 114442887

IUPAC4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC(CC)CCO)c(Cl)c1=O
InChIInChI=1S/C12H20ClN3O2/c1-3-6-16-12(18)11(13)10(8-14-16)15-9(4-2)5-7-17/h8-9,15,17H,3-7H2,1-2H3
InChIKeyMUEXNOVQGXKWHU-UHFFFAOYSA-N
MW273.76 g/mol
LogP1.88
Rot. Bonds7

About 4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one

4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one (PubChem CID 114442887) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is 4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one
PubChem CID114442887
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC(CC)CCO)c(Cl)c1=O
InChIInChI=1S/C12H20ClN3O2/c1-3-6-16-12(18)11(13)10(8-14-16)15-9(4-2)5-7-17/h8-9,15,17H,3-7H2,1-2H3
InChIKeyMUEXNOVQGXKWHU-UHFFFAOYSA-N
XLogP1.88
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-(1-hydroxybutan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114433179
2-butyl-4-chloro-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazin-3-one
CID 106162048
4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one
CID 114433229
4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439436
4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114435329
4-chloro-5-(5-methylhexan-2-ylamino)-2-propylpyridazin-3-one
CID 114438256
4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 114431361
2-butyl-4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one
CID 114440306
4-chloro-5-(heptan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435383
4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one
CID 114442160
5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one
CID 114446557
2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide
CID 114441510

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one (CID 114442887) is 4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one is CCCn1ncc(NC(CC)CCO)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one?
The InChIKey is MUEXNOVQGXKWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2/c1-3-6-16-12(18)11(13)10(8-14-16)15-9(4-2)5-7-17/h8-9,15,17H,3-7H2,1-2H3.
What are the key properties of 4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one?
4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one has a molecular weight of 273.76 g/mol, XLogP of 1.88, 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-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one is sourced from PubChem (CID 114442887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).