6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine

C12H17F3N4 — CID 61312328

IUPAC6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine
SMILESCc1ccc(NCC2CCN(CC(F)(F)F)C2)nn1
InChIInChI=1S/C12H17F3N4/c1-9-2-3-11(18-17-9)16-6-10-4-5-19(7-10)8-12(13,14)15/h2-3,10H,4-8H2,1H3,(H,16,18)
InChIKeyGSESRTYTNVLMBV-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.08
Rot. Bonds4

About 6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine

6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine (PubChem CID 61312328) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is 6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine
PubChem CID61312328
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine
SMILESCc1ccc(NCC2CCN(CC(F)(F)F)C2)nn1
InChIInChI=1S/C12H17F3N4/c1-9-2-3-11(18-17-9)16-6-10-4-5-19(7-10)8-12(13,14)15/h2-3,10H,4-8H2,1H3,(H,16,18)
InChIKeyGSESRTYTNVLMBV-UHFFFAOYSA-N
XLogP2.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine?
The IUPAC name of 6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine (CID 61312328) is 6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine is Cc1ccc(NCC2CCN(CC(F)(F)F)C2)nn1.
What is the InChIKey of 6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine?
The InChIKey is GSESRTYTNVLMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-9-2-3-11(18-17-9)16-6-10-4-5-19(7-10)8-12(13,14)15/h2-3,10H,4-8H2,1H3,(H,16,18).
What are the key properties of 6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine?
6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine has a molecular weight of 274.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 61312328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).