3-chloro-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine

C16H17ClF3N5 — CID 133281244

IUPAC3-chloro-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(CC1CCCN1c1cccnn1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C16H17ClF3N5/c1-24(15-13(17)8-11(9-21-15)16(18,19)20)10-12-4-3-7-25(12)14-5-2-6-22-23-14/h2,5-6,8-9,12H,3-4,7,10H2,1H3
InChIKeyOYTSBIDLLXUHOJ-UHFFFAOYSA-N
MW371.79 g/mol
LogP3.65
Rot. Bonds4

About 3-chloro-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 133281244) has the molecular formula C16H17ClF3N5 and a molecular weight of 371.79 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID133281244
Molecular FormulaC16H17ClF3N5
Molecular Weight371.79 g/mol
Exact Mass371.11
IUPAC Name3-chloro-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCN(CC1CCCN1c1cccnn1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C16H17ClF3N5/c1-24(15-13(17)8-11(9-21-15)16(18,19)20)10-12-4-3-7-25(12)14-5-2-6-22-23-14/h2,5-6,8-9,12H,3-4,7,10H2,1H3
InChIKeyOYTSBIDLLXUHOJ-UHFFFAOYSA-N
XLogP3.65
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.79
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 133281244) is 3-chloro-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is CN(CC1CCCN1c1cccnn1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OYTSBIDLLXUHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF3N5/c1-24(15-13(17)8-11(9-21-15)16(18,19)20)10-12-4-3-7-25(12)14-5-2-6-22-23-14/h2,5-6,8-9,12H,3-4,7,10H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 371.79 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133281244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).