4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methoxy]-2-(trifluoromethyl)quinazoline

C18H12F3N5O — CID 86579053

IUPAC4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methoxy]-2-(trifluoromethyl)quinazoline
SMILESFC(F)(F)c1nc(OCc2nc(-c3ccccc3)n[nH]2)c2ccccc2n1
InChIInChI=1S/C18H12F3N5O/c19-18(20,21)17-22-13-9-5-4-8-12(13)16(24-17)27-10-14-23-15(26-25-14)11-6-2-1-3-7-11/h1-9H,10H2,(H,23,25,26)
InChIKeyBRUCHHAKWRMNHK-UHFFFAOYSA-N
MW371.32 g/mol
LogP4.01
Rot. Bonds4

About 4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methoxy]-2-(trifluoromethyl)quinazoline

4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methoxy]-2-(trifluoromethyl)quinazoline (PubChem CID 86579053) has the molecular formula C18H12F3N5O and a molecular weight of 371.32 g/mol. Its IUPAC name is 4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methoxy]-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methoxy]-2-(trifluoromethyl)quinazoline
PubChem CID86579053
Molecular FormulaC18H12F3N5O
Molecular Weight371.32 g/mol
Exact Mass371.10
IUPAC Name4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methoxy]-2-(trifluoromethyl)quinazoline
SMILESFC(F)(F)c1nc(OCc2nc(-c3ccccc3)n[nH]2)c2ccccc2n1
InChIInChI=1S/C18H12F3N5O/c19-18(20,21)17-22-13-9-5-4-8-12(13)16(24-17)27-10-14-23-15(26-25-14)11-6-2-1-3-7-11/h1-9H,10H2,(H,23,25,26)
InChIKeyBRUCHHAKWRMNHK-UHFFFAOYSA-N
XLogP4.01
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline
CID 86578516
4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline
CID 86578622
4-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline
CID 75202424
2-methyl-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline
CID 75202416
3-(4-fluorophenyl)-5-[(2-phenylquinazolin-4-yl)oxymethyl]-1,2-oxazole
CID 71761123
(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine;hydrobromide
CID 146014408
3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]quinoline
CID 23228256
4-[5-(naphthalen-2-yloxymethyl)-1H-1,2,4-triazol-3-yl]phenol
CID 918325
5-(cyclobutylmethyl)-3-phenyl-1H-1,2,4-triazole
CID 103164431
5-[(2-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole
CID 61354179
4-(5-benzyl-1H-1,2,4-triazol-3-yl)phenol
CID 918324
2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]piperidine
CID 62216718

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methoxy]-2-(trifluoromethyl)quinazoline?
The IUPAC name of 4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methoxy]-2-(trifluoromethyl)quinazoline (CID 86579053) is 4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methoxy]-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methoxy]-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methoxy]-2-(trifluoromethyl)quinazoline is FC(F)(F)c1nc(OCc2nc(-c3ccccc3)n[nH]2)c2ccccc2n1.
What is the InChIKey of 4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methoxy]-2-(trifluoromethyl)quinazoline?
The InChIKey is BRUCHHAKWRMNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O/c19-18(20,21)17-22-13-9-5-4-8-12(13)16(24-17)27-10-14-23-15(26-25-14)11-6-2-1-3-7-11/h1-9H,10H2,(H,23,25,26).
What are the key properties of 4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methoxy]-2-(trifluoromethyl)quinazoline?
4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methoxy]-2-(trifluoromethyl)quinazoline has a molecular weight of 371.32 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methoxy]-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 86579053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).