4-chloro-5-(2,2-dimethylbutylamino)-2-methylpyridazin-3-one

C11H18ClN3O — CID 103462448

IUPAC4-chloro-5-(2,2-dimethylbutylamino)-2-methylpyridazin-3-one
SMILESCCC(C)(C)CNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C11H18ClN3O/c1-5-11(2,3)7-13-8-6-14-15(4)10(16)9(8)12/h6,13H,5,7H2,1-4H3
InChIKeyXFAMPKNOLVTSCB-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.28
Rot. Bonds4

About 4-chloro-5-(2,2-dimethylbutylamino)-2-methylpyridazin-3-one

4-chloro-5-(2,2-dimethylbutylamino)-2-methylpyridazin-3-one (PubChem CID 103462448) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 4-chloro-5-(2,2-dimethylbutylamino)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(2,2-dimethylbutylamino)-2-methylpyridazin-3-one
PubChem CID103462448
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name4-chloro-5-(2,2-dimethylbutylamino)-2-methylpyridazin-3-one
SMILESCCC(C)(C)CNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C11H18ClN3O/c1-5-11(2,3)7-13-8-6-14-15(4)10(16)9(8)12/h6,13H,5,7H2,1-4H3
InChIKeyXFAMPKNOLVTSCB-UHFFFAOYSA-N
XLogP2.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2,2-dimethylbutylamino)-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(2,2-dimethylbutylamino)-2-methylpyridazin-3-one (CID 103462448) is 4-chloro-5-(2,2-dimethylbutylamino)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(2,2-dimethylbutylamino)-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(2,2-dimethylbutylamino)-2-methylpyridazin-3-one is CCC(C)(C)CNc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-(2,2-dimethylbutylamino)-2-methylpyridazin-3-one?
The InChIKey is XFAMPKNOLVTSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-5-11(2,3)7-13-8-6-14-15(4)10(16)9(8)12/h6,13H,5,7H2,1-4H3.
What are the key properties of 4-chloro-5-(2,2-dimethylbutylamino)-2-methylpyridazin-3-one?
4-chloro-5-(2,2-dimethylbutylamino)-2-methylpyridazin-3-one has a molecular weight of 243.74 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2,2-dimethylbutylamino)-2-methylpyridazin-3-one is sourced from PubChem (CID 103462448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).