5-amino-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinolin-3-ol

C18H15F3N4O — CID 70281397

IUPAC5-amino-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinolin-3-ol
SMILESCC1=C(N)c2ccccc2N2NN(c3ccc(C(F)(F)F)cc3)C(O)=C12
InChIInChI=1S/C18H15F3N4O/c1-10-15(22)13-4-2-3-5-14(13)25-16(10)17(26)24(23-25)12-8-6-11(7-9-12)18(19,20)21/h2-9,23,26H,22H2,1H3
InChIKeyUOAITCRQBIHLRR-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.88
Rot. Bonds1

About 5-amino-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinolin-3-ol

5-amino-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinolin-3-ol (PubChem CID 70281397) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 5-amino-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinolin-3-ol.

Molecular Properties

Compound Name5-amino-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinolin-3-ol
PubChem CID70281397
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name5-amino-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinolin-3-ol
SMILESCC1=C(N)c2ccccc2N2NN(c3ccc(C(F)(F)F)cc3)C(O)=C12
InChIInChI=1S/C18H15F3N4O/c1-10-15(22)13-4-2-3-5-14(13)25-16(10)17(26)24(23-25)12-8-6-11(7-9-12)18(19,20)21/h2-9,23,26H,22H2,1H3
InChIKeyUOAITCRQBIHLRR-UHFFFAOYSA-N
XLogP3.88
TPSA64.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-4-one
CID 70284649
3-hydroxy-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazolin-5-one
CID 70285916
2-[4-(trifluoromethyl)phenyl]-1,4-dihydrotriazolo[1,5-a]indol-3-ol;hydrate
CID 173292428
4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,5-dihydrotriazolo[1,5-a]quinoxalin-3-one;hydrate
CID 162541798
4-methyl-2-(6-methyl-3-pyridinyl)-5-nitro-1H-triazolo[1,5-a]quinolin-3-ol;hydrate
CID 173292579
4-cyclopropyl-5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol
CID 139832962
4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol
CID 139832943
2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142
1-hydroxy-2-[4-(trifluoromethyl)phenyl]-3a,4-dihydrotriazolo[1,5-a]quinazoline-3,5-dione
CID 57170754
4-(2-methylsulfinylethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]isoquinolin-3-ol;hydrate
CID 171926528
4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol
CID 102084046
N-[2-[4-(trifluoromethyl)phenyl]phenyl]carbamate
CID 152781290

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinolin-3-ol?
The IUPAC name of 5-amino-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinolin-3-ol (CID 70281397) is 5-amino-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinolin-3-ol.
What is the SMILES notation for 5-amino-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinolin-3-ol?
The canonical SMILES for 5-amino-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinolin-3-ol is CC1=C(N)c2ccccc2N2NN(c3ccc(C(F)(F)F)cc3)C(O)=C12.
What is the InChIKey of 5-amino-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinolin-3-ol?
The InChIKey is UOAITCRQBIHLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-10-15(22)13-4-2-3-5-14(13)25-16(10)17(26)24(23-25)12-8-6-11(7-9-12)18(19,20)21/h2-9,23,26H,22H2,1H3.
What are the key properties of 5-amino-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinolin-3-ol?
5-amino-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinolin-3-ol has a molecular weight of 360.34 g/mol, XLogP of 3.88, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinolin-3-ol is sourced from PubChem (CID 70281397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).