4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-7-(trifluoromethyl)phthalazin-1-amine

C15H16ClF3N4 — CID 172524720

IUPAC4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-7-(trifluoromethyl)phthalazin-1-amine
SMILESCN1CCC[C@@H](Nc2nnc(Cl)c3ccc(C(F)(F)F)cc23)C1
InChIInChI=1S/C15H16ClF3N4/c1-23-6-2-3-10(8-23)20-14-12-7-9(15(17,18)19)4-5-11(12)13(16)21-22-14/h4-5,7,10H,2-3,6,8H2,1H3,(H,20,22)/t10-/m1/s1
InChIKeyUCLDHFBYVIOCRA-SNVBAGLBSA-N
MW344.77 g/mol
LogP3.81
Rot. Bonds2

About 4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-7-(trifluoromethyl)phthalazin-1-amine

4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-7-(trifluoromethyl)phthalazin-1-amine (PubChem CID 172524720) has the molecular formula C15H16ClF3N4 and a molecular weight of 344.77 g/mol. Its IUPAC name is 4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-7-(trifluoromethyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-7-(trifluoromethyl)phthalazin-1-amine
PubChem CID172524720
Molecular FormulaC15H16ClF3N4
Molecular Weight344.77 g/mol
Exact Mass344.10
IUPAC Name4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-7-(trifluoromethyl)phthalazin-1-amine
SMILESCN1CCC[C@@H](Nc2nnc(Cl)c3ccc(C(F)(F)F)cc23)C1
InChIInChI=1S/C15H16ClF3N4/c1-23-6-2-3-10(8-23)20-14-12-7-9(15(17,18)19)4-5-11(12)13(16)21-22-14/h4-5,7,10H,2-3,6,8H2,1H3,(H,20,22)/t10-/m1/s1
InChIKeyUCLDHFBYVIOCRA-SNVBAGLBSA-N
XLogP3.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-7-(trifluoromethyl)phthalazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-7-(trifluoromethyl)phthalazin-1-amine?
The IUPAC name of 4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-7-(trifluoromethyl)phthalazin-1-amine (CID 172524720) is 4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-7-(trifluoromethyl)phthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-7-(trifluoromethyl)phthalazin-1-amine?
The canonical SMILES for 4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-7-(trifluoromethyl)phthalazin-1-amine is CN1CCC[C@@H](Nc2nnc(Cl)c3ccc(C(F)(F)F)cc23)C1.
What is the InChIKey of 4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-7-(trifluoromethyl)phthalazin-1-amine?
The InChIKey is UCLDHFBYVIOCRA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16ClF3N4/c1-23-6-2-3-10(8-23)20-14-12-7-9(15(17,18)19)4-5-11(12)13(16)21-22-14/h4-5,7,10H,2-3,6,8H2,1H3,(H,20,22)/t10-/m1/s1.
What are the key properties of 4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-7-(trifluoromethyl)phthalazin-1-amine?
4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-7-(trifluoromethyl)phthalazin-1-amine has a molecular weight of 344.77 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3R)-1-methylpiperidin-3-yl]-7-(trifluoromethyl)phthalazin-1-amine is sourced from PubChem (CID 172524720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).