5-amino-2-[(1R,3R)-3-(3,3,3-trifluoropropyl)cyclohexyl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol

C18H20F3N5O — CID 155926705

IUPAC5-amino-2-[(1R,3R)-3-(3,3,3-trifluoropropyl)cyclohexyl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol
SMILESNc1nc2c(O)cccc2c2nc([C@@H]3CCC[C@H](CCC(F)(F)F)C3)nn12
InChIInChI=1S/C18H20F3N5O/c19-18(20,21)8-7-10-3-1-4-11(9-10)15-24-16-12-5-2-6-13(27)14(12)23-17(22)26(16)25-15/h2,5-6,10-11,27H,1,3-4,7-9H2,(H2,22,23)/t10-,11-/m1/s1
InChIKeyLRGYFQACFDGNDG-GHMZBOCLSA-N
MW379.39 g/mol
LogP4.18
Rot. Bonds3

About 5-amino-2-[(1R,3R)-3-(3,3,3-trifluoropropyl)cyclohexyl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol

5-amino-2-[(1R,3R)-3-(3,3,3-trifluoropropyl)cyclohexyl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol (PubChem CID 155926705) has the molecular formula C18H20F3N5O and a molecular weight of 379.39 g/mol. Its IUPAC name is 5-amino-2-[(1R,3R)-3-(3,3,3-trifluoropropyl)cyclohexyl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol.

Molecular Properties

Compound Name5-amino-2-[(1R,3R)-3-(3,3,3-trifluoropropyl)cyclohexyl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol
PubChem CID155926705
Molecular FormulaC18H20F3N5O
Molecular Weight379.39 g/mol
Exact Mass379.16
IUPAC Name5-amino-2-[(1R,3R)-3-(3,3,3-trifluoropropyl)cyclohexyl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol
SMILESNc1nc2c(O)cccc2c2nc([C@@H]3CCC[C@H](CCC(F)(F)F)C3)nn12
InChIInChI=1S/C18H20F3N5O/c19-18(20,21)8-7-10-3-1-4-11(9-10)15-24-16-12-5-2-6-13(27)14(12)23-17(22)26(16)25-15/h2,5-6,10-11,27H,1,3-4,7-9H2,(H2,22,23)/t10-,11-/m1/s1
InChIKeyLRGYFQACFDGNDG-GHMZBOCLSA-N
XLogP4.18
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-[1-(2,2-difluoroethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol
CID 137359948
2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169150760
5-amino-2-[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol
CID 146597584
2-[(3R)-1-(2-cyclopropyl-3,3,3-trifluoropropyl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 155257574
7-methoxy-2-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 137359945
3-[[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]methyl]pentan-3-ol
CID 167359163
7-methoxy-2-[(3R)-1-phenylpiperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 155926715
7-methoxy-2-[(3R)-1-(1-methylimidazol-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359117
2-[3-[2-(aminomethyl)pyrimidin-5-yl]cyclobutyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169150911
1-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]triazol-1-yl]-2-methylpropan-2-ol
CID 167359094
2-[(3R)-1-(1,5-dimethyltriazol-4-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359135
2-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-N-cyclobutyl-2-methylpropanamide
CID 167359215

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(1R,3R)-3-(3,3,3-trifluoropropyl)cyclohexyl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol?
The IUPAC name of 5-amino-2-[(1R,3R)-3-(3,3,3-trifluoropropyl)cyclohexyl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol (CID 155926705) is 5-amino-2-[(1R,3R)-3-(3,3,3-trifluoropropyl)cyclohexyl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol.
What is the SMILES notation for 5-amino-2-[(1R,3R)-3-(3,3,3-trifluoropropyl)cyclohexyl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol?
The canonical SMILES for 5-amino-2-[(1R,3R)-3-(3,3,3-trifluoropropyl)cyclohexyl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol is Nc1nc2c(O)cccc2c2nc([C@@H]3CCC[C@H](CCC(F)(F)F)C3)nn12.
What is the InChIKey of 5-amino-2-[(1R,3R)-3-(3,3,3-trifluoropropyl)cyclohexyl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol?
The InChIKey is LRGYFQACFDGNDG-GHMZBOCLSA-N. The full InChI is InChI=1S/C18H20F3N5O/c19-18(20,21)8-7-10-3-1-4-11(9-10)15-24-16-12-5-2-6-13(27)14(12)23-17(22)26(16)25-15/h2,5-6,10-11,27H,1,3-4,7-9H2,(H2,22,23)/t10-,11-/m1/s1.
What are the key properties of 5-amino-2-[(1R,3R)-3-(3,3,3-trifluoropropyl)cyclohexyl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol?
5-amino-2-[(1R,3R)-3-(3,3,3-trifluoropropyl)cyclohexyl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol has a molecular weight of 379.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(1R,3R)-3-(3,3,3-trifluoropropyl)cyclohexyl]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol is sourced from PubChem (CID 155926705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).