N-(5,5,5-trifluoropentyl)cinnolin-4-amine

C13H14F3N3 — CID 115520682

IUPACN-(5,5,5-trifluoropentyl)cinnolin-4-amine
SMILESFC(F)(F)CCCCNc1cnnc2ccccc12
InChIInChI=1S/C13H14F3N3/c14-13(15,16)7-3-4-8-17-12-9-18-19-11-6-2-1-5-10(11)12/h1-2,5-6,9H,3-4,7-8H2,(H,17,19)
InChIKeyJSTFXKGUSLFHRM-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.77
Rot. Bonds5

About N-(5,5,5-trifluoropentyl)cinnolin-4-amine

N-(5,5,5-trifluoropentyl)cinnolin-4-amine (PubChem CID 115520682) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-(5,5,5-trifluoropentyl)cinnolin-4-amine.

Molecular Properties

Compound NameN-(5,5,5-trifluoropentyl)cinnolin-4-amine
PubChem CID115520682
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC NameN-(5,5,5-trifluoropentyl)cinnolin-4-amine
SMILESFC(F)(F)CCCCNc1cnnc2ccccc12
InChIInChI=1S/C13H14F3N3/c14-13(15,16)7-3-4-8-17-12-9-18-19-11-6-2-1-5-10(11)12/h1-2,5-6,9H,3-4,7-8H2,(H,17,19)
InChIKeyJSTFXKGUSLFHRM-UHFFFAOYSA-N
XLogP3.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(5,5,5-trifluoropentyl)cinnolin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-chlorobutyl)cinnolin-4-amine
CID 106845043
N-(2,2,2-trifluoroethyl)cinnolin-4-amine
CID 63586208
N-[2-(2,2,2-trifluoroethoxy)ethyl]cinnolin-4-amine
CID 63827735
N-(7-methyloctyl)cinnolin-4-amine
CID 107816241
N'-cinnolin-4-yl-N-cyclopropylpropane-1,3-diamine
CID 63586034
N-(3-chlorobutyl)cinnolin-4-amine
CID 65028318
N-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine
CID 63587706
N-(2-pyrrolidin-1-ylethyl)cinnolin-4-amine
CID 63587707
N-(1,2-oxazol-5-ylmethyl)cinnolin-4-amine
CID 114186432
4-(5,5,5-trifluoropentylamino)cinnoline-3-carbonitrile
CID 115486555
1-N-cinnolin-4-yl-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 63586754
N-[(4-bromophenyl)methyl]cinnolin-4-amine
CID 55213389

Frequently Asked Questions

What is the IUPAC name of N-(5,5,5-trifluoropentyl)cinnolin-4-amine?
The IUPAC name of N-(5,5,5-trifluoropentyl)cinnolin-4-amine (CID 115520682) is N-(5,5,5-trifluoropentyl)cinnolin-4-amine.
What is the SMILES notation for N-(5,5,5-trifluoropentyl)cinnolin-4-amine?
The canonical SMILES for N-(5,5,5-trifluoropentyl)cinnolin-4-amine is FC(F)(F)CCCCNc1cnnc2ccccc12.
What is the InChIKey of N-(5,5,5-trifluoropentyl)cinnolin-4-amine?
The InChIKey is JSTFXKGUSLFHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c14-13(15,16)7-3-4-8-17-12-9-18-19-11-6-2-1-5-10(11)12/h1-2,5-6,9H,3-4,7-8H2,(H,17,19).
What are the key properties of N-(5,5,5-trifluoropentyl)cinnolin-4-amine?
N-(5,5,5-trifluoropentyl)cinnolin-4-amine has a molecular weight of 269.27 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,5-trifluoropentyl)cinnolin-4-amine is sourced from PubChem (CID 115520682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).