6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine

C13H13F3N6 — CID 153337870

IUPAC6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine
SMILESFC(F)(F)c1cnnc(Nc2ccc(N3CCCC3)nn2)c1
InChIInChI=1S/C13H13F3N6/c14-13(15,16)9-7-11(19-17-8-9)18-10-3-4-12(21-20-10)22-5-1-2-6-22/h3-4,7-8H,1-2,5-6H2,(H,18,19,20)
InChIKeyVKFZSXQHSNTQCP-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.63
Rot. Bonds3

About 6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine

6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine (PubChem CID 153337870) has the molecular formula C13H13F3N6 and a molecular weight of 310.28 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine
PubChem CID153337870
Molecular FormulaC13H13F3N6
Molecular Weight310.28 g/mol
Exact Mass310.12
IUPAC Name6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine
SMILESFC(F)(F)c1cnnc(Nc2ccc(N3CCCC3)nn2)c1
InChIInChI=1S/C13H13F3N6/c14-13(15,16)9-7-11(19-17-8-9)18-10-3-4-12(21-20-10)22-5-1-2-6-22/h3-4,7-8H,1-2,5-6H2,(H,18,19,20)
InChIKeyVKFZSXQHSNTQCP-UHFFFAOYSA-N
XLogP2.63
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine?
The IUPAC name of 6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine (CID 153337870) is 6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine.
What is the SMILES notation for 6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine?
The canonical SMILES for 6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine is FC(F)(F)c1cnnc(Nc2ccc(N3CCCC3)nn2)c1.
What is the InChIKey of 6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine?
The InChIKey is VKFZSXQHSNTQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N6/c14-13(15,16)9-7-11(19-17-8-9)18-10-3-4-12(21-20-10)22-5-1-2-6-22/h3-4,7-8H,1-2,5-6H2,(H,18,19,20).
What are the key properties of 6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine?
6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine has a molecular weight of 310.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine is sourced from PubChem (CID 153337870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).