2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine

C14H11F2N5O2 — CID 130309643

IUPAC2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine
SMILESFC(F)Oc1cccc(-n2cc(COc3ncccn3)nn2)c1
InChIInChI=1S/C14H11F2N5O2/c15-13(16)23-12-4-1-3-11(7-12)21-8-10(19-20-21)9-22-14-17-5-2-6-18-14/h1-8,13H,9H2
InChIKeyJEJWZFXCYJKDPA-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.24
Rot. Bonds6

About 2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine

2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine (PubChem CID 130309643) has the molecular formula C14H11F2N5O2 and a molecular weight of 319.27 g/mol. Its IUPAC name is 2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine
PubChem CID130309643
Molecular FormulaC14H11F2N5O2
Molecular Weight319.27 g/mol
Exact Mass319.09
IUPAC Name2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine
SMILESFC(F)Oc1cccc(-n2cc(COc3ncccn3)nn2)c1
InChIInChI=1S/C14H11F2N5O2/c15-13(16)23-12-4-1-3-11(7-12)21-8-10(19-20-21)9-22-14-17-5-2-6-18-14/h1-8,13H,9H2
InChIKeyJEJWZFXCYJKDPA-UHFFFAOYSA-N
XLogP2.24
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130309646
2-[[1-[4-chloro-3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]-5-(difluoromethoxy)pyrimidine
CID 130309396
2-[[1-(4-chloro-3-methoxyphenyl)triazol-4-yl]methoxy]pyrimidine
CID 130311673
2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-4-(1-methoxyethyl)pyrimidine
CID 130302296
1-[2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidin-4-yl]-N-methylmethanamine
CID 130309789
2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-4-(1H-pyrrol-2-yl)pyrimidine
CID 130302278
2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-4-(trideuteriomethoxymethyl)pyrimidine
CID 130302330
1-[2-[[1-[3-(1,1-difluoroethyl)phenyl]triazol-4-yl]methoxy]pyrimidin-5-yl]ethanol
CID 130309630
N-cyclopropyl-2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyrimidin-4-amine
CID 130302228
2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyrimidine
CID 130302350
4-(chloromethyl)-1-[3-(trifluoromethoxy)phenyl]triazole
CID 122241334
O-[[1-(3-fluorophenyl)triazol-4-yl]methyl]hydroxylamine
CID 117167593

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine?
The IUPAC name of 2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine (CID 130309643) is 2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine.
What is the SMILES notation for 2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine?
The canonical SMILES for 2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine is FC(F)Oc1cccc(-n2cc(COc3ncccn3)nn2)c1.
What is the InChIKey of 2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine?
The InChIKey is JEJWZFXCYJKDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5O2/c15-13(16)23-12-4-1-3-11(7-12)21-8-10(19-20-21)9-22-14-17-5-2-6-18-14/h1-8,13H,9H2.
What are the key properties of 2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine?
2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine has a molecular weight of 319.27 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3-(difluoromethoxy)phenyl]triazol-4-yl]methoxy]pyrimidine is sourced from PubChem (CID 130309643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).