5-(3-amino-4-methylpyrrolidin-1-yl)-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one

C11H14ClF3N4O — CID 103577435

IUPAC5-(3-amino-4-methylpyrrolidin-1-yl)-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESCC1CN(c2cnn(CC(F)(F)F)c(=O)c2Cl)CC1N
InChIInChI=1S/C11H14ClF3N4O/c1-6-3-18(4-7(6)16)8-2-17-19(5-11(13,14)15)10(20)9(8)12/h2,6-7H,3-5,16H2,1H3
InChIKeyGZSUQBMAWJOGIW-UHFFFAOYSA-N
MW310.71 g/mol
LogP1.24
Rot. Bonds2

About 5-(3-amino-4-methylpyrrolidin-1-yl)-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one

5-(3-amino-4-methylpyrrolidin-1-yl)-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 103577435) has the molecular formula C11H14ClF3N4O and a molecular weight of 310.71 g/mol. Its IUPAC name is 5-(3-amino-4-methylpyrrolidin-1-yl)-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(3-amino-4-methylpyrrolidin-1-yl)-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID103577435
Molecular FormulaC11H14ClF3N4O
Molecular Weight310.71 g/mol
Exact Mass310.08
IUPAC Name5-(3-amino-4-methylpyrrolidin-1-yl)-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESCC1CN(c2cnn(CC(F)(F)F)c(=O)c2Cl)CC1N
InChIInChI=1S/C11H14ClF3N4O/c1-6-3-18(4-7(6)16)8-2-17-19(5-11(13,14)15)10(20)9(8)12/h2,6-7H,3-5,16H2,1H3
InChIKeyGZSUQBMAWJOGIW-UHFFFAOYSA-N
XLogP1.24
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-4-methylpyrrolidin-1-yl)-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 5-(3-amino-4-methylpyrrolidin-1-yl)-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one (CID 103577435) is 5-(3-amino-4-methylpyrrolidin-1-yl)-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 5-(3-amino-4-methylpyrrolidin-1-yl)-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 5-(3-amino-4-methylpyrrolidin-1-yl)-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one is CC1CN(c2cnn(CC(F)(F)F)c(=O)c2Cl)CC1N.
What is the InChIKey of 5-(3-amino-4-methylpyrrolidin-1-yl)-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is GZSUQBMAWJOGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4O/c1-6-3-18(4-7(6)16)8-2-17-19(5-11(13,14)15)10(20)9(8)12/h2,6-7H,3-5,16H2,1H3.
What are the key properties of 5-(3-amino-4-methylpyrrolidin-1-yl)-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
5-(3-amino-4-methylpyrrolidin-1-yl)-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 310.71 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-4-methylpyrrolidin-1-yl)-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 103577435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).