N-[[(2S)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine

C21H18F3N5O — CID 92666906

IUPACN-[[(2S)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine
SMILESFC(F)(F)c1cccc(-c2nnn3c2nc(NC[C@@H]2CCCO2)c2ccccc23)c1
InChIInChI=1S/C21H18F3N5O/c22-21(23,24)14-6-3-5-13(11-14)18-20-26-19(25-12-15-7-4-10-30-15)16-8-1-2-9-17(16)29(20)28-27-18/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,25,26)/t15-/m0/s1
InChIKeyHHHQAWXZMMSTLC-HNNXBMFYSA-N
MW413.40 g/mol
LogP4.55
Rot. Bonds4

About N-[[(2S)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine

N-[[(2S)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine (PubChem CID 92666906) has the molecular formula C21H18F3N5O and a molecular weight of 413.40 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine
PubChem CID92666906
Molecular FormulaC21H18F3N5O
Molecular Weight413.40 g/mol
Exact Mass413.15
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine
SMILESFC(F)(F)c1cccc(-c2nnn3c2nc(NC[C@@H]2CCCO2)c2ccccc23)c1
InChIInChI=1S/C21H18F3N5O/c22-21(23,24)14-6-3-5-13(11-14)18-20-26-19(25-12-15-7-4-10-30-15)16-8-1-2-9-17(16)29(20)28-27-18/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,25,26)/t15-/m0/s1
InChIKeyHHHQAWXZMMSTLC-HNNXBMFYSA-N
XLogP4.55
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(2S)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine with MolForge

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Related Compounds

3-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazolo[1,5-a]quinazolin-5-amine
CID 2150167
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]quinazolin-5-amine
CID 8852996
8-fluoro-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 110431777
4-[7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-yl]morpholine
CID 20874488
1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride
CID 17151637
N-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)triazolo[1,5-a]quinazolin-5-amine
CID 51365982
N-cyclopentyl-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine
CID 16811836
1-[[(2R)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 883340
4-(oxolan-2-ylmethylamino)-1H-quinazoline-2-thione
CID 23827546
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine
CID 3156007
7-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine
CID 16956377
N-(3-ethoxypropyl)-3-phenyltriazolo[1,5-a]quinazolin-5-amine
CID 15945462

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine (CID 92666906) is N-[[(2S)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine is FC(F)(F)c1cccc(-c2nnn3c2nc(NC[C@@H]2CCCO2)c2ccccc23)c1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is HHHQAWXZMMSTLC-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H18F3N5O/c22-21(23,24)14-6-3-5-13(11-14)18-20-26-19(25-12-15-7-4-10-30-15)16-8-1-2-9-17(16)29(20)28-27-18/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,25,26)/t15-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine?
N-[[(2S)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 413.40 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 92666906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).