5-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]-1H-pyridazin-6-one

C12H16ClN5O2 — CID 133305646

IUPAC5-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]-1H-pyridazin-6-one
SMILESCC(C)c1noc(CCCNc2cn[nH]c(=O)c2Cl)n1
InChIInChI=1S/C12H16ClN5O2/c1-7(2)11-16-9(20-18-11)4-3-5-14-8-6-15-17-12(19)10(8)13/h6-7H,3-5H2,1-2H3,(H2,14,17,19)
InChIKeyIQFNYZJAQHNBTG-UHFFFAOYSA-N
MW297.75 g/mol
LogP1.97
Rot. Bonds6

About 5-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]-1H-pyridazin-6-one

5-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]-1H-pyridazin-6-one (PubChem CID 133305646) has the molecular formula C12H16ClN5O2 and a molecular weight of 297.75 g/mol. Its IUPAC name is 5-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]-1H-pyridazin-6-one
PubChem CID133305646
Molecular FormulaC12H16ClN5O2
Molecular Weight297.75 g/mol
Exact Mass297.10
IUPAC Name5-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]-1H-pyridazin-6-one
SMILESCC(C)c1noc(CCCNc2cn[nH]c(=O)c2Cl)n1
InChIInChI=1S/C12H16ClN5O2/c1-7(2)11-16-9(20-18-11)4-3-5-14-8-6-15-17-12(19)10(8)13/h6-7H,3-5H2,1-2H3,(H2,14,17,19)
InChIKeyIQFNYZJAQHNBTG-UHFFFAOYSA-N
XLogP1.97
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,5-dichloro-2-[3-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]phenyl]pyridazin-3-one
CID 133305667
5-chloro-4-(4-hydroxybutylamino)-1H-pyridazin-6-one
CID 106842784
5-chloro-4-(3-methylsulfinylpropylamino)-1H-pyridazin-6-one
CID 115631406
3,6-dimethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazin-2-amine
CID 91648217
5-chloro-4-(2,3,3-trimethylbutylamino)-1H-pyridazin-6-one
CID 78966968
5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one
CID 78970910
5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one
CID 78990669
2-methyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine
CID 133305648
2-ethyl-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinolin-4-amine
CID 133405040
5-chloro-4-(3,3-dimethylbutan-2-ylamino)-1H-pyridazin-6-one
CID 104828828
4-(2-tert-butylsulfanylethylamino)-5-chloro-1H-pyridazin-6-one
CID 133275925
ethyl 4-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]butanoate
CID 78913338

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]-1H-pyridazin-6-one (CID 133305646) is 5-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]-1H-pyridazin-6-one is CC(C)c1noc(CCCNc2cn[nH]c(=O)c2Cl)n1.
What is the InChIKey of 5-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]-1H-pyridazin-6-one?
The InChIKey is IQFNYZJAQHNBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O2/c1-7(2)11-16-9(20-18-11)4-3-5-14-8-6-15-17-12(19)10(8)13/h6-7H,3-5H2,1-2H3,(H2,14,17,19).
What are the key properties of 5-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]-1H-pyridazin-6-one?
5-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]-1H-pyridazin-6-one has a molecular weight of 297.75 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 133305646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).