4-chloro-2-propyl-5-(pyrrol-1-ylamino)pyridazin-3-one

C11H13ClN4O — CID 114439887

IUPAC4-chloro-2-propyl-5-(pyrrol-1-ylamino)pyridazin-3-one
SMILESCCCn1ncc(Nn2cccc2)c(Cl)c1=O
InChIInChI=1S/C11H13ClN4O/c1-2-5-16-11(17)10(12)9(8-13-16)14-15-6-3-4-7-15/h3-4,6-8,14H,2,5H2,1H3
InChIKeyBQWDQNTUXCRFGU-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.98
Rot. Bonds4

About 4-chloro-2-propyl-5-(pyrrol-1-ylamino)pyridazin-3-one

4-chloro-2-propyl-5-(pyrrol-1-ylamino)pyridazin-3-one (PubChem CID 114439887) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is 4-chloro-2-propyl-5-(pyrrol-1-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-propyl-5-(pyrrol-1-ylamino)pyridazin-3-one
PubChem CID114439887
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name4-chloro-2-propyl-5-(pyrrol-1-ylamino)pyridazin-3-one
SMILESCCCn1ncc(Nn2cccc2)c(Cl)c1=O
InChIInChI=1S/C11H13ClN4O/c1-2-5-16-11(17)10(12)9(8-13-16)14-15-6-3-4-7-15/h3-4,6-8,14H,2,5H2,1H3
InChIKeyBQWDQNTUXCRFGU-UHFFFAOYSA-N
XLogP1.98
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114442139
4-chloro-5-[(1-methylpyrazol-3-yl)amino]-2-propylpyridazin-3-one
CID 114440121
4-chloro-5-[3-(hydroxymethyl)pentan-3-ylamino]-2-propylpyridazin-3-one
CID 114437191
4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one
CID 114433229
4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114435329
4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one
CID 114442887
5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one
CID 114442009
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-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114436229
4-chloro-5-[(1-ethylpyrazol-4-yl)amino]-2-propylpyridazin-3-one
CID 114433442
4-chloro-5-(3-hydroxybutylamino)-2-propylpyridazin-3-one
CID 114439110

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propyl-5-(pyrrol-1-ylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-propyl-5-(pyrrol-1-ylamino)pyridazin-3-one (CID 114439887) is 4-chloro-2-propyl-5-(pyrrol-1-ylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-propyl-5-(pyrrol-1-ylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-propyl-5-(pyrrol-1-ylamino)pyridazin-3-one is CCCn1ncc(Nn2cccc2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-propyl-5-(pyrrol-1-ylamino)pyridazin-3-one?
The InChIKey is BQWDQNTUXCRFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-2-5-16-11(17)10(12)9(8-13-16)14-15-6-3-4-7-15/h3-4,6-8,14H,2,5H2,1H3.
What are the key properties of 4-chloro-2-propyl-5-(pyrrol-1-ylamino)pyridazin-3-one?
4-chloro-2-propyl-5-(pyrrol-1-ylamino)pyridazin-3-one has a molecular weight of 252.71 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propyl-5-(pyrrol-1-ylamino)pyridazin-3-one is sourced from PubChem (CID 114439887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).