3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)pyridazine

C10H14ClN3 — CID 114478263

IUPAC3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)pyridazine
SMILESCC1CN(c2cnnc(Cl)c2)CC1C
InChIInChI=1S/C10H14ClN3/c1-7-5-14(6-8(7)2)9-3-10(11)13-12-4-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyUWHVOLIMNDTASG-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.22
Rot. Bonds1

About 3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)pyridazine

3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)pyridazine (PubChem CID 114478263) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)pyridazine
PubChem CID114478263
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)pyridazine
SMILESCC1CN(c2cnnc(Cl)c2)CC1C
InChIInChI=1S/C10H14ClN3/c1-7-5-14(6-8(7)2)9-3-10(11)13-12-4-9/h3-4,7-8H,5-6H2,1-2H3
InChIKeyUWHVOLIMNDTASG-UHFFFAOYSA-N
XLogP2.22
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)pyridazine?
The IUPAC name of 3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)pyridazine (CID 114478263) is 3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)pyridazine.
What is the SMILES notation for 3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)pyridazine?
The canonical SMILES for 3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)pyridazine is CC1CN(c2cnnc(Cl)c2)CC1C.
What is the InChIKey of 3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)pyridazine?
The InChIKey is UWHVOLIMNDTASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-7-5-14(6-8(7)2)9-3-10(11)13-12-4-9/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)pyridazine?
3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)pyridazine has a molecular weight of 211.70 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)pyridazine is sourced from PubChem (CID 114478263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).