3,6-dichloro-4-pyrrolidin-1-ylpyridazine;pyrrolidine

C12H18Cl2N4 — CID 158113630

IUPAC3,6-dichloro-4-pyrrolidin-1-ylpyridazine;pyrrolidine
SMILESC1CCNC1.Clc1cc(N2CCCC2)c(Cl)nn1
InChIInChI=1S/C8H9Cl2N3.C4H9N/c9-7-5-6(8(10)12-11-7)13-3-1-2-4-13;1-2-4-5-3-1/h5H,1-4H2;5H,1-4H2
InChIKeyFQSVCRDLGWWKMF-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.75
Rot. Bonds1

About 3,6-dichloro-4-pyrrolidin-1-ylpyridazine;pyrrolidine

3,6-dichloro-4-pyrrolidin-1-ylpyridazine;pyrrolidine (PubChem CID 158113630) has the molecular formula C12H18Cl2N4 and a molecular weight of 289.21 g/mol. Its IUPAC name is 3,6-dichloro-4-pyrrolidin-1-ylpyridazine;pyrrolidine.

Molecular Properties

Compound Name3,6-dichloro-4-pyrrolidin-1-ylpyridazine;pyrrolidine
PubChem CID158113630
Molecular FormulaC12H18Cl2N4
Molecular Weight289.21 g/mol
Exact Mass288.09
IUPAC Name3,6-dichloro-4-pyrrolidin-1-ylpyridazine;pyrrolidine
SMILESC1CCNC1.Clc1cc(N2CCCC2)c(Cl)nn1
InChIInChI=1S/C8H9Cl2N3.C4H9N/c9-7-5-6(8(10)12-11-7)13-3-1-2-4-13;1-2-4-5-3-1/h5H,1-4H2;5H,1-4H2
InChIKeyFQSVCRDLGWWKMF-UHFFFAOYSA-N
XLogP2.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-N-methylpyridazin-4-amine
CID 12955489
3,6-dichloro-N-(2-methylprop-2-en-1-yl)pyridazin-4-amine
CID 21515359
3,6-Dichloro-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine
CID 165128879
3,6-Dichloro-4-(3-fluoropyrrolidin-1-yl)pyridazine
CID 165128894
3,6-dichloro-N,N-bis(prop-2-enyl)pyridazin-4-amine
CID 318721
3,6-dichloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-4-amine
CID 81764074
3,6-dichloro-N-(2,2,2-trifluoroethyl)pyridazin-4-amine
CID 81764254
3,6-dichloro-N-(3,3,3-trifluoropropyl)pyridazin-4-amine
CID 81765054
3,6-dichloro-N-(2,2-difluoroethyl)pyridazin-4-amine
CID 81765152
3,6-dichloro-N-(4,4,4-trifluorobutyl)pyridazin-4-amine
CID 81765162
3,6-dichloro-N-(5,5,5-trifluoropentyl)pyridazin-4-amine
CID 81765163
3,6-dichloro-N-(4,4,4-trifluorobutan-2-yl)pyridazin-4-amine
CID 105938534

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-pyrrolidin-1-ylpyridazine;pyrrolidine?
The IUPAC name of 3,6-dichloro-4-pyrrolidin-1-ylpyridazine;pyrrolidine (CID 158113630) is 3,6-dichloro-4-pyrrolidin-1-ylpyridazine;pyrrolidine.
What is the SMILES notation for 3,6-dichloro-4-pyrrolidin-1-ylpyridazine;pyrrolidine?
The canonical SMILES for 3,6-dichloro-4-pyrrolidin-1-ylpyridazine;pyrrolidine is C1CCNC1.Clc1cc(N2CCCC2)c(Cl)nn1.
What is the InChIKey of 3,6-dichloro-4-pyrrolidin-1-ylpyridazine;pyrrolidine?
The InChIKey is FQSVCRDLGWWKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3.C4H9N/c9-7-5-6(8(10)12-11-7)13-3-1-2-4-13;1-2-4-5-3-1/h5H,1-4H2;5H,1-4H2.
What are the key properties of 3,6-dichloro-4-pyrrolidin-1-ylpyridazine;pyrrolidine?
3,6-dichloro-4-pyrrolidin-1-ylpyridazine;pyrrolidine has a molecular weight of 289.21 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-pyrrolidin-1-ylpyridazine;pyrrolidine is sourced from PubChem (CID 158113630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).