4-chloro-5-(2-methylpropylamino)-2-propan-2-ylpyridazin-3-one

C11H18ClN3O — CID 114431553

IUPAC4-chloro-5-(2-methylpropylamino)-2-propan-2-ylpyridazin-3-one
SMILESCC(C)CNc1cnn(C(C)C)c(=O)c1Cl
InChIInChI=1S/C11H18ClN3O/c1-7(2)5-13-9-6-14-15(8(3)4)11(16)10(9)12/h6-8,13H,5H2,1-4H3
InChIKeyBAXFSGJIQLILDJ-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.55
Rot. Bonds4

About 4-chloro-5-(2-methylpropylamino)-2-propan-2-ylpyridazin-3-one

4-chloro-5-(2-methylpropylamino)-2-propan-2-ylpyridazin-3-one (PubChem CID 114431553) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 4-chloro-5-(2-methylpropylamino)-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(2-methylpropylamino)-2-propan-2-ylpyridazin-3-one
PubChem CID114431553
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name4-chloro-5-(2-methylpropylamino)-2-propan-2-ylpyridazin-3-one
SMILESCC(C)CNc1cnn(C(C)C)c(=O)c1Cl
InChIInChI=1S/C11H18ClN3O/c1-7(2)5-13-9-6-14-15(8(3)4)11(16)10(9)12/h6-8,13H,5H2,1-4H3
InChIKeyBAXFSGJIQLILDJ-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(butylamino)-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114432150
5-[[(E)-4-aminobut-2-enyl]amino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114447233
5-[(2-amino-2-ethylbutyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114446774
2-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-N-ethylethanesulfonamide
CID 106338125
5-[(4-bromophenyl)methylamino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114432680
4-chloro-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-propan-2-ylpyridazin-3-one
CID 114440791
4-chloro-2-propan-2-yl-5-(2-prop-2-enoxyethylamino)pyridazin-3-one
CID 114264802
4-chloro-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 106048168
4-chloro-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-propan-2-ylpyridazin-3-one
CID 106148961
4-chloro-5-[(1-methylpyrrolidin-2-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 106026687
5-[(1-amino-4-methylpentan-2-yl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114445270
4-chloro-5-[(5-methylfuran-2-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114437125

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-methylpropylamino)-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(2-methylpropylamino)-2-propan-2-ylpyridazin-3-one (CID 114431553) is 4-chloro-5-(2-methylpropylamino)-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(2-methylpropylamino)-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(2-methylpropylamino)-2-propan-2-ylpyridazin-3-one is CC(C)CNc1cnn(C(C)C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-(2-methylpropylamino)-2-propan-2-ylpyridazin-3-one?
The InChIKey is BAXFSGJIQLILDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-7(2)5-13-9-6-14-15(8(3)4)11(16)10(9)12/h6-8,13H,5H2,1-4H3.
What are the key properties of 4-chloro-5-(2-methylpropylamino)-2-propan-2-ylpyridazin-3-one?
4-chloro-5-(2-methylpropylamino)-2-propan-2-ylpyridazin-3-one has a molecular weight of 243.74 g/mol, XLogP of 2.55, 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-methylpropylamino)-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 114431553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).