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

C16H10F3N5O2 — CID 75202424

IUPAC4-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline
SMILESFC(F)(F)c1nc(OCc2nc(-c3ccco3)n[nH]2)c2ccccc2n1
InChIInChI=1S/C16H10F3N5O2/c17-16(18,19)15-20-10-5-2-1-4-9(10)14(22-15)26-8-12-21-13(24-23-12)11-6-3-7-25-11/h1-7H,8H2,(H,21,23,24)
InChIKeyRCKLVABRXOKMHA-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.61
Rot. Bonds4

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

4-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline (PubChem CID 75202424) has the molecular formula C16H10F3N5O2 and a molecular weight of 361.28 g/mol. Its IUPAC name is 4-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name4-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline
PubChem CID75202424
Molecular FormulaC16H10F3N5O2
Molecular Weight361.28 g/mol
Exact Mass361.08
IUPAC Name4-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline
SMILESFC(F)(F)c1nc(OCc2nc(-c3ccco3)n[nH]2)c2ccccc2n1
InChIInChI=1S/C16H10F3N5O2/c17-16(18,19)15-20-10-5-2-1-4-9(10)14(22-15)26-8-12-21-13(24-23-12)11-6-3-7-25-11/h1-7H,8H2,(H,21,23,24)
InChIKeyRCKLVABRXOKMHA-UHFFFAOYSA-N
XLogP3.61
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3-phenyl-1H-1,2,4-triazol-5-yl)methoxy]-2-(trifluoromethyl)quinazoline
CID 86579053
4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline
CID 86578622
4-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline
CID 86578516
5-(chloromethyl)-3-(furan-2-yl)-1H-1,2,4-triazole
CID 79600359
2-methyl-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline
CID 75202416
3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole
CID 167964392
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-4-methoxyaniline
CID 39734358
N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 55377814
2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethanimine
CID 90741695
ethyl 2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]acetate
CID 18801946
4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-2-(trifluoromethyl)quinazoline
CID 24566912
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 71844898

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline?
The IUPAC name of 4-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline (CID 75202424) is 4-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 4-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 4-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline is FC(F)(F)c1nc(OCc2nc(-c3ccco3)n[nH]2)c2ccccc2n1.
What is the InChIKey of 4-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline?
The InChIKey is RCKLVABRXOKMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O2/c17-16(18,19)15-20-10-5-2-1-4-9(10)14(22-15)26-8-12-21-13(24-23-12)11-6-3-7-25-11/h1-7H,8H2,(H,21,23,24).
What are the key properties of 4-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline?
4-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline has a molecular weight of 361.28 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 75202424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).