3-pyrrolidin-3-ylpyridazine

C8H11N3 — CID 82594696

IUPAC3-pyrrolidin-3-ylpyridazine
SMILESc1cnnc(C2CCNC2)c1
InChIInChI=1S/C8H11N3/c1-2-8(11-10-4-1)7-3-5-9-6-7/h1-2,4,7,9H,3,5-6H2
InChIKeyKSRWKOAMFZVBQA-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.55
Rot. Bonds1

About 3-pyrrolidin-3-ylpyridazine

3-pyrrolidin-3-ylpyridazine (PubChem CID 82594696) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 3-pyrrolidin-3-ylpyridazine.

Molecular Properties

Compound Name3-pyrrolidin-3-ylpyridazine
PubChem CID82594696
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name3-pyrrolidin-3-ylpyridazine
SMILESc1cnnc(C2CCNC2)c1
InChIInChI=1S/C8H11N3/c1-2-8(11-10-4-1)7-3-5-9-6-7/h1-2,4,7,9H,3,5-6H2
InChIKeyKSRWKOAMFZVBQA-UHFFFAOYSA-N
XLogP0.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-ylpyridazine?
The IUPAC name of 3-pyrrolidin-3-ylpyridazine (CID 82594696) is 3-pyrrolidin-3-ylpyridazine.
What is the SMILES notation for 3-pyrrolidin-3-ylpyridazine?
The canonical SMILES for 3-pyrrolidin-3-ylpyridazine is c1cnnc(C2CCNC2)c1.
What is the InChIKey of 3-pyrrolidin-3-ylpyridazine?
The InChIKey is KSRWKOAMFZVBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-2-8(11-10-4-1)7-3-5-9-6-7/h1-2,4,7,9H,3,5-6H2.
What are the key properties of 3-pyrrolidin-3-ylpyridazine?
3-pyrrolidin-3-ylpyridazine has a molecular weight of 149.20 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-ylpyridazine is sourced from PubChem (CID 82594696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).