7-methoxy-2-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C20H19F3N6O — CID 169285859

IUPAC7-methoxy-2-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CCNCc3ccccc3C(F)(F)F)nc21
InChIInChI=1S/C20H19F3N6O/c1-30-15-8-4-6-13-17(15)27-19(24)29-18(13)26-16(28-29)9-10-25-11-12-5-2-3-7-14(12)20(21,22)23/h2-8,25H,9-11H2,1H3,(H2,24,27)
InChIKeyYAMHCHJWQWYYAX-UHFFFAOYSA-N
MW416.41 g/mol
LogP3.22
Rot. Bonds6

About 7-methoxy-2-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

7-methoxy-2-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 169285859) has the molecular formula C20H19F3N6O and a molecular weight of 416.41 g/mol. Its IUPAC name is 7-methoxy-2-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name7-methoxy-2-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID169285859
Molecular FormulaC20H19F3N6O
Molecular Weight416.41 g/mol
Exact Mass416.16
IUPAC Name7-methoxy-2-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CCNCc3ccccc3C(F)(F)F)nc21
InChIInChI=1S/C20H19F3N6O/c1-30-15-8-4-6-13-17(15)27-19(24)29-18(13)26-16(28-29)9-10-25-11-12-5-2-3-7-14(12)20(21,22)23/h2-8,25H,9-11H2,1H3,(H2,24,27)
InChIKeyYAMHCHJWQWYYAX-UHFFFAOYSA-N
XLogP3.22
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 2162695
2-[(4-fluorophenyl)methoxymethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 162684766
1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol
CID 162684779
7-methoxy-2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 121454478
ethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate
CID 90257651
2-[(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methylamino]-1-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 170164407
2-[2-(2-fluoro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 76901504
2-[[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methylamino]methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169285915
2-[4-[(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)methoxymethyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 162684898
1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-yloxy thiohypoiodite
CID 144662413
2-[[5,5-dimethyl-3-(trifluoromethyl)-6,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90257925
2-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;ethane
CID 144656842

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 7-methoxy-2-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 169285859) is 7-methoxy-2-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 7-methoxy-2-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 7-methoxy-2-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(CCNCc3ccccc3C(F)(F)F)nc21.
What is the InChIKey of 7-methoxy-2-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is YAMHCHJWQWYYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O/c1-30-15-8-4-6-13-17(15)27-19(24)29-18(13)26-16(28-29)9-10-25-11-12-5-2-3-7-14(12)20(21,22)23/h2-8,25H,9-11H2,1H3,(H2,24,27).
What are the key properties of 7-methoxy-2-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
7-methoxy-2-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 416.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 169285859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).