(2R)-2-[[2-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]butanamide

C20H17F3N6O2 — CID 156637192

IUPAC(2R)-2-[[2-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]butanamide
SMILESCC[C@@H](Nc1nc2ccccc2c2nc(-c3ccc(OC(F)(F)F)cc3)nn12)C(N)=O
InChIInChI=1S/C20H17F3N6O2/c1-2-14(16(24)30)25-19-26-15-6-4-3-5-13(15)18-27-17(28-29(18)19)11-7-9-12(10-8-11)31-20(21,22)23/h3-10,14H,2H2,1H3,(H2,24,30)(H,25,26)/t14-/m1/s1
InChIKeyBZLYXSQSBJZQGY-CQSZACIVSA-N
MW430.39 g/mol
LogP3.52
Rot. Bonds6

About (2R)-2-[[2-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]butanamide

(2R)-2-[[2-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]butanamide (PubChem CID 156637192) has the molecular formula C20H17F3N6O2 and a molecular weight of 430.39 g/mol. Its IUPAC name is (2R)-2-[[2-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]butanamide.

Molecular Properties

Compound Name(2R)-2-[[2-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]butanamide
PubChem CID156637192
Molecular FormulaC20H17F3N6O2
Molecular Weight430.39 g/mol
Exact Mass430.14
IUPAC Name(2R)-2-[[2-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]butanamide
SMILESCC[C@@H](Nc1nc2ccccc2c2nc(-c3ccc(OC(F)(F)F)cc3)nn12)C(N)=O
InChIInChI=1S/C20H17F3N6O2/c1-2-14(16(24)30)25-19-26-15-6-4-3-5-13(15)18-27-17(28-29(18)19)11-7-9-12(10-8-11)31-20(21,22)23/h3-10,14H,2H2,1H3,(H2,24,30)(H,25,26)/t14-/m1/s1
InChIKeyBZLYXSQSBJZQGY-CQSZACIVSA-N
XLogP3.52
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[[2-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]butanamide with MolForge

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Related Compounds

N-cyano-2-[[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]propanamide
CID 156637237
(2R)-2-(triazolo[1,5-c]quinazolin-5-ylamino)pentanamide
CID 175738418
N-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880342
(2R)-2-amino-3-[2-[2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]phenyl]propanamide
CID 172755951
2-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 175738814
N'-ethyl-N'-phenyl-N-(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)propane-1,3-diamine
CID 20880263
N-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 75396439
N-(furan-2-ylmethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16584672
N-ethyl-2-(5-phenyltetrazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 167242614
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880267
N-(3-propan-2-yloxypropyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880354
2-(4-butylphenyl)-N-[4-(trifluoromethoxy)phenyl]quinazolin-4-amine
CID 46498613

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]butanamide?
The IUPAC name of (2R)-2-[[2-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]butanamide (CID 156637192) is (2R)-2-[[2-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]butanamide.
What is the SMILES notation for (2R)-2-[[2-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]butanamide?
The canonical SMILES for (2R)-2-[[2-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]butanamide is CC[C@@H](Nc1nc2ccccc2c2nc(-c3ccc(OC(F)(F)F)cc3)nn12)C(N)=O.
What is the InChIKey of (2R)-2-[[2-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]butanamide?
The InChIKey is BZLYXSQSBJZQGY-CQSZACIVSA-N. The full InChI is InChI=1S/C20H17F3N6O2/c1-2-14(16(24)30)25-19-26-15-6-4-3-5-13(15)18-27-17(28-29(18)19)11-7-9-12(10-8-11)31-20(21,22)23/h3-10,14H,2H2,1H3,(H2,24,30)(H,25,26)/t14-/m1/s1.
What are the key properties of (2R)-2-[[2-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]butanamide?
(2R)-2-[[2-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]butanamide has a molecular weight of 430.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]butanamide is sourced from PubChem (CID 156637192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).