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

C15H25ClN4O — CID 114435760

IUPAC4-chloro-5-(1-piperidin-1-ylpropan-2-ylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC(C)CN2CCCCC2)c(Cl)c1=O
InChIInChI=1S/C15H25ClN4O/c1-3-7-20-15(21)14(16)13(10-17-20)18-12(2)11-19-8-5-4-6-9-19/h10,12,18H,3-9,11H2,1-2H3
InChIKeyKDZMVEKZOHARFC-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.59
Rot. Bonds6

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

4-chloro-5-(1-piperidin-1-ylpropan-2-ylamino)-2-propylpyridazin-3-one (PubChem CID 114435760) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 4-chloro-5-(1-piperidin-1-ylpropan-2-ylamino)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(1-piperidin-1-ylpropan-2-ylamino)-2-propylpyridazin-3-one
PubChem CID114435760
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name4-chloro-5-(1-piperidin-1-ylpropan-2-ylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC(C)CN2CCCCC2)c(Cl)c1=O
InChIInChI=1S/C15H25ClN4O/c1-3-7-20-15(21)14(16)13(10-17-20)18-12(2)11-19-8-5-4-6-9-19/h10,12,18H,3-9,11H2,1-2H3
InChIKeyKDZMVEKZOHARFC-UHFFFAOYSA-N
XLogP2.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one
CID 114433229
4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one
CID 114442160
4-chloro-5-(5-methylhexan-2-ylamino)-2-propylpyridazin-3-one
CID 114438256
4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114435329
2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide
CID 114441510
4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one
CID 114443047
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
4-chloro-2-[2-(dimethylamino)ethyl]-5-(pentan-2-ylamino)pyridazin-3-one
CID 114432002
4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one
CID 114435566
4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114435974
5-[2-(azepan-1-yl)ethylamino]-4-chloro-2-ethylpyridazin-3-one
CID 114434960
4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 114431361

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1-piperidin-1-ylpropan-2-ylamino)-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(1-piperidin-1-ylpropan-2-ylamino)-2-propylpyridazin-3-one (CID 114435760) is 4-chloro-5-(1-piperidin-1-ylpropan-2-ylamino)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(1-piperidin-1-ylpropan-2-ylamino)-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(1-piperidin-1-ylpropan-2-ylamino)-2-propylpyridazin-3-one is CCCn1ncc(NC(C)CN2CCCCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(1-piperidin-1-ylpropan-2-ylamino)-2-propylpyridazin-3-one?
The InChIKey is KDZMVEKZOHARFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-3-7-20-15(21)14(16)13(10-17-20)18-12(2)11-19-8-5-4-6-9-19/h10,12,18H,3-9,11H2,1-2H3.
What are the key properties of 4-chloro-5-(1-piperidin-1-ylpropan-2-ylamino)-2-propylpyridazin-3-one?
4-chloro-5-(1-piperidin-1-ylpropan-2-ylamino)-2-propylpyridazin-3-one has a molecular weight of 312.85 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1-piperidin-1-ylpropan-2-ylamino)-2-propylpyridazin-3-one is sourced from PubChem (CID 114435760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).