4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine

C10H12F3N3 — CID 104866691

IUPAC4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESNc1cnc(C(F)(F)F)cc1NC1CCC1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)9-4-8(7(14)5-15-9)16-6-2-1-3-6/h4-6H,1-3,14H2,(H,15,16)
InChIKeyWRTRAWLFMTWSNI-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.65
Rot. Bonds2

About 4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 104866691) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID104866691
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESNc1cnc(C(F)(F)F)cc1NC1CCC1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)9-4-8(7(14)5-15-9)16-6-2-1-3-6/h4-6H,1-3,14H2,(H,15,16)
InChIKeyWRTRAWLFMTWSNI-UHFFFAOYSA-N
XLogP2.65
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2,3-dimethylcyclopentyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747815
3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-2-one
CID 106747635
4-N-(2-cyclopentylethyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747365
N-cyclohexyl-5-nitro-2-(trifluoromethyl)pyridin-4-amine
CID 106748879
4-N-[(1-methylcyclobutyl)methyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 114107351
4-cyclopentylsulfanyl-6-(trifluoromethyl)pyridin-3-amine
CID 106748813
4-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106290011
6-(trifluoromethyl)-4-N-(2,3,4-trifluorophenyl)pyridine-3,4-diamine
CID 106747202
4-(cyclopentylmethylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine
CID 106748815
4-N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106182590
6-methyl-4-N-piperidin-4-ylpyridine-3,4-diamine
CID 145484790
2-N-cyclobutyl-4-fluoro-5-iodobenzene-1,2-diamine
CID 66100112

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine (CID 104866691) is 4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine is Nc1cnc(C(F)(F)F)cc1NC1CCC1.
What is the InChIKey of 4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is WRTRAWLFMTWSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c11-10(12,13)9-4-8(7(14)5-15-9)16-6-2-1-3-6/h4-6H,1-3,14H2,(H,15,16).
What are the key properties of 4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 231.22 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 104866691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).