6-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide

C12H14ClF3N4O — CID 61051327

IUPAC6-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1ccc(Cl)nn1
InChIInChI=1S/C12H14ClF3N4O/c13-10-2-1-9(18-19-10)11(21)17-5-8-3-4-20(6-8)7-12(14,15)16/h1-2,8H,3-7H2,(H,17,21)
InChIKeyGZRQEIDRUYOJPX-UHFFFAOYSA-N
MW322.72 g/mol
LogP1.74
Rot. Bonds4

About 6-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide

6-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide (PubChem CID 61051327) has the molecular formula C12H14ClF3N4O and a molecular weight of 322.72 g/mol. Its IUPAC name is 6-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide
PubChem CID61051327
Molecular FormulaC12H14ClF3N4O
Molecular Weight322.72 g/mol
Exact Mass322.08
IUPAC Name6-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1ccc(Cl)nn1
InChIInChI=1S/C12H14ClF3N4O/c13-10-2-1-9(18-19-10)11(21)17-5-8-3-4-20(6-8)7-12(14,15)16/h1-2,8H,3-7H2,(H,17,21)
InChIKeyGZRQEIDRUYOJPX-UHFFFAOYSA-N
XLogP1.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.72
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide (CID 61051327) is 6-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide is O=C(NCC1CCN(CC(F)(F)F)C1)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide?
The InChIKey is GZRQEIDRUYOJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N4O/c13-10-2-1-9(18-19-10)11(21)17-5-8-3-4-20(6-8)7-12(14,15)16/h1-2,8H,3-7H2,(H,17,21).
What are the key properties of 6-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide?
6-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide has a molecular weight of 322.72 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 61051327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).