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

C13H10FN5O — CID 130309553

IUPAC2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine
SMILESFc1cccc(-n2cc(COc3ncccn3)nn2)c1
InChIInChI=1S/C13H10FN5O/c14-10-3-1-4-12(7-10)19-8-11(17-18-19)9-20-13-15-5-2-6-16-13/h1-8H,9H2
InChIKeyXNROXRCXABFYRV-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.78
Rot. Bonds4

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

2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine (PubChem CID 130309553) has the molecular formula C13H10FN5O and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine
PubChem CID130309553
Molecular FormulaC13H10FN5O
Molecular Weight271.25 g/mol
Exact Mass271.09
IUPAC Name2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine
SMILESFc1cccc(-n2cc(COc3ncccn3)nn2)c1
InChIInChI=1S/C13H10FN5O/c14-10-3-1-4-12(7-10)19-8-11(17-18-19)9-20-13-15-5-2-6-16-13/h1-8H,9H2
InChIKeyXNROXRCXABFYRV-UHFFFAOYSA-N
XLogP1.78
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine?
The IUPAC name of 2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine (CID 130309553) is 2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine.
What is the SMILES notation for 2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine?
The canonical SMILES for 2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine is Fc1cccc(-n2cc(COc3ncccn3)nn2)c1.
What is the InChIKey of 2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine?
The InChIKey is XNROXRCXABFYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O/c14-10-3-1-4-12(7-10)19-8-11(17-18-19)9-20-13-15-5-2-6-16-13/h1-8H,9H2.
What are the key properties of 2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine?
2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine has a molecular weight of 271.25 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-fluorophenyl)triazol-4-yl]methoxy]pyrimidine is sourced from PubChem (CID 130309553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).