N-[4-chloro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

C16H9ClF3N5 — CID 15990197

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESFC(F)(F)c1cc(Nc2nc3ccccc3c3nncn23)ccc1Cl
InChIInChI=1S/C16H9ClF3N5/c17-12-6-5-9(7-11(12)16(18,19)20)22-15-23-13-4-2-1-3-10(13)14-24-21-8-25(14)15/h1-8H,(H,22,23)
InChIKeyBUACEEBWODDTKK-UHFFFAOYSA-N
MW363.73 g/mol
LogP4.69
Rot. Bonds2

About N-[4-chloro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

N-[4-chloro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (PubChem CID 15990197) has the molecular formula C16H9ClF3N5 and a molecular weight of 363.73 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
PubChem CID15990197
Molecular FormulaC16H9ClF3N5
Molecular Weight363.73 g/mol
Exact Mass363.05
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESFC(F)(F)c1cc(Nc2nc3ccccc3c3nncn23)ccc1Cl
InChIInChI=1S/C16H9ClF3N5/c17-12-6-5-9(7-11(12)16(18,19)20)22-15-23-13-4-2-1-3-10(13)14-24-21-8-25(14)15/h1-8H,(H,22,23)
InChIKeyBUACEEBWODDTKK-UHFFFAOYSA-N
XLogP4.69
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.73
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]imidazo[1,2-a]quinoxalin-4-amine
CID 12905343
1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
CID 73295562
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112926975
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
CID 715676
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-phenoxyquinolin-2-amine
CID 154963371
3-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967106
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-ethylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946460
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112946107
4-N-(2-chlorophenyl)-6-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19147954
2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid
CID 59802438
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-2-phenylacetamide
CID 2389916
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[2-(4-methylphenyl)quinazolin-4-yl]piperazin-1-yl]acetamide
CID 166001009

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (CID 15990197) is N-[4-chloro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is FC(F)(F)c1cc(Nc2nc3ccccc3c3nncn23)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The InChIKey is BUACEEBWODDTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3N5/c17-12-6-5-9(7-11(12)16(18,19)20)22-15-23-13-4-2-1-3-10(13)14-24-21-8-25(14)15/h1-8H,(H,22,23).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
N-[4-chloro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine has a molecular weight of 363.73 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is sourced from PubChem (CID 15990197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).