3-[(3,6-dichloropyridazin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

C11H14Cl2N4O — CID 113411554

IUPAC3-[(3,6-dichloropyridazin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNc1cc(Cl)nnc1Cl)N1CCCC1
InChIInChI=1S/C11H14Cl2N4O/c12-9-7-8(11(13)16-15-9)14-4-3-10(18)17-5-1-2-6-17/h7H,1-6H2,(H,14,15)
InChIKeyKNCUBIDDZLWEBB-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.21
Rot. Bonds4

About 3-[(3,6-dichloropyridazin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

3-[(3,6-dichloropyridazin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 113411554) has the molecular formula C11H14Cl2N4O and a molecular weight of 289.17 g/mol. Its IUPAC name is 3-[(3,6-dichloropyridazin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3,6-dichloropyridazin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID113411554
Molecular FormulaC11H14Cl2N4O
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name3-[(3,6-dichloropyridazin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCNc1cc(Cl)nnc1Cl)N1CCCC1
InChIInChI=1S/C11H14Cl2N4O/c12-9-7-8(11(13)16-15-9)14-4-3-10(18)17-5-1-2-6-17/h7H,1-6H2,(H,14,15)
InChIKeyKNCUBIDDZLWEBB-UHFFFAOYSA-N
XLogP2.21
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-4-amine
CID 81764074
3,6-Dichloro-4-pyrrolidin-1-ylpyridazine
CID 12449298
N-Butyl-3,6-dichloropyridazin-4-amine
CID 21515388
3,6-Dichloro-4-(piperazin-1-yl)pyridazine
CID 59606520
N'-(3,6-dichloropyridazin-4-yl)-N,N'-dimethylethane-1,2-diamine
CID 81763905
N-(3,6-dichloropyridazin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 81764236
N-(3,6-dichloropyridazin-4-yl)acetamide
CID 87395792
tert-butyl N-[3-[(3,6-dichloropyridazin-4-yl)amino]butyl]-N-ethylcarbamate
CID 123449999
N-(3,6-Dichloro-4-pyridazinyl)pivalamide
CID 124193469
N-[(3R)-1-(3-amino-6-chloropyridazin-4-yl)pyrrolidin-3-yl]acetamide
CID 135217284
3,6-Dichloro-4-pyrrolidin-1-ylpyridazine;pyrrolidine
CID 158113630
1-[(3R)-4-(3,6-dichloropyridazin-4-yl)-3-methylpiperazin-1-yl]ethanone
CID 167436974

Frequently Asked Questions

What is the IUPAC name of 3-[(3,6-dichloropyridazin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(3,6-dichloropyridazin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 113411554) is 3-[(3,6-dichloropyridazin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(3,6-dichloropyridazin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(3,6-dichloropyridazin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCNc1cc(Cl)nnc1Cl)N1CCCC1.
What is the InChIKey of 3-[(3,6-dichloropyridazin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is KNCUBIDDZLWEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N4O/c12-9-7-8(11(13)16-15-9)14-4-3-10(18)17-5-1-2-6-17/h7H,1-6H2,(H,14,15).
What are the key properties of 3-[(3,6-dichloropyridazin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[(3,6-dichloropyridazin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 289.17 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,6-dichloropyridazin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 113411554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).