5-chloro-3-[(1-methylpyrrolidin-3-yl)methyl]pyridazine

C10H14ClN3 — CID 117105324

IUPAC5-chloro-3-[(1-methylpyrrolidin-3-yl)methyl]pyridazine
SMILESCN1CCC(Cc2cc(Cl)cnn2)C1
InChIInChI=1S/C10H14ClN3/c1-14-3-2-8(7-14)4-10-5-9(11)6-12-13-10/h5-6,8H,2-4,7H2,1H3
InChIKeySQTDDFCVRKYEEJ-UHFFFAOYSA-N
MW211.70 g/mol
LogP1.62
Rot. Bonds2

About 5-chloro-3-[(1-methylpyrrolidin-3-yl)methyl]pyridazine

5-chloro-3-[(1-methylpyrrolidin-3-yl)methyl]pyridazine (PubChem CID 117105324) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 5-chloro-3-[(1-methylpyrrolidin-3-yl)methyl]pyridazine.

Molecular Properties

Compound Name5-chloro-3-[(1-methylpyrrolidin-3-yl)methyl]pyridazine
PubChem CID117105324
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name5-chloro-3-[(1-methylpyrrolidin-3-yl)methyl]pyridazine
SMILESCN1CCC(Cc2cc(Cl)cnn2)C1
InChIInChI=1S/C10H14ClN3/c1-14-3-2-8(7-14)4-10-5-9(11)6-12-13-10/h5-6,8H,2-4,7H2,1H3
InChIKeySQTDDFCVRKYEEJ-UHFFFAOYSA-N
XLogP1.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(1-methylpyrrolidin-3-yl)methyl]pyridazine?
The IUPAC name of 5-chloro-3-[(1-methylpyrrolidin-3-yl)methyl]pyridazine (CID 117105324) is 5-chloro-3-[(1-methylpyrrolidin-3-yl)methyl]pyridazine.
What is the SMILES notation for 5-chloro-3-[(1-methylpyrrolidin-3-yl)methyl]pyridazine?
The canonical SMILES for 5-chloro-3-[(1-methylpyrrolidin-3-yl)methyl]pyridazine is CN1CCC(Cc2cc(Cl)cnn2)C1.
What is the InChIKey of 5-chloro-3-[(1-methylpyrrolidin-3-yl)methyl]pyridazine?
The InChIKey is SQTDDFCVRKYEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-14-3-2-8(7-14)4-10-5-9(11)6-12-13-10/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 5-chloro-3-[(1-methylpyrrolidin-3-yl)methyl]pyridazine?
5-chloro-3-[(1-methylpyrrolidin-3-yl)methyl]pyridazine has a molecular weight of 211.70 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(1-methylpyrrolidin-3-yl)methyl]pyridazine is sourced from PubChem (CID 117105324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).