6-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide

C12H12F6N4O — CID 133339812

IUPAC6-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)nn1
InChIInChI=1S/C12H12F6N4O/c1-19-9(23)7-2-3-8(21-20-7)22-5-4-10(6-22,11(13,14)15)12(16,17)18/h2-3H,4-6H2,1H3,(H,19,23)
InChIKeyWPZWRTYHALZMJB-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.16
Rot. Bonds2

About 6-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide

6-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide (PubChem CID 133339812) has the molecular formula C12H12F6N4O and a molecular weight of 342.24 g/mol. Its IUPAC name is 6-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide
PubChem CID133339812
Molecular FormulaC12H12F6N4O
Molecular Weight342.24 g/mol
Exact Mass342.09
IUPAC Name6-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)nn1
InChIInChI=1S/C12H12F6N4O/c1-19-9(23)7-2-3-8(21-20-7)22-5-4-10(6-22,11(13,14)15)12(16,17)18/h2-3H,4-6H2,1H3,(H,19,23)
InChIKeyWPZWRTYHALZMJB-UHFFFAOYSA-N
XLogP2.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide (CID 133339812) is 6-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)nn1.
What is the InChIKey of 6-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide?
The InChIKey is WPZWRTYHALZMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6N4O/c1-19-9(23)7-2-3-8(21-20-7)22-5-4-10(6-22,11(13,14)15)12(16,17)18/h2-3H,4-6H2,1H3,(H,19,23).
What are the key properties of 6-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide?
6-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide has a molecular weight of 342.24 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133339812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).