5-chloro-6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazine

C16H11ClFN5O — CID 176719811

IUPAC5-chloro-6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazine
SMILESFc1ccc(Oc2nncnc2Cl)c(-c2cncnc2C2CC2)c1
InChIInChI=1S/C16H11ClFN5O/c17-15-16(23-22-8-21-15)24-13-4-3-10(18)5-11(13)12-6-19-7-20-14(12)9-1-2-9/h3-9H,1-2H2
InChIKeyQFNZOEMBCYZBRB-UHFFFAOYSA-N
MW343.75 g/mol
LogP3.79
Rot. Bonds4

About 5-chloro-6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazine

5-chloro-6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazine (PubChem CID 176719811) has the molecular formula C16H11ClFN5O and a molecular weight of 343.75 g/mol. Its IUPAC name is 5-chloro-6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazine.

Molecular Properties

Compound Name5-chloro-6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazine
PubChem CID176719811
Molecular FormulaC16H11ClFN5O
Molecular Weight343.75 g/mol
Exact Mass343.06
IUPAC Name5-chloro-6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazine
SMILESFc1ccc(Oc2nncnc2Cl)c(-c2cncnc2C2CC2)c1
InChIInChI=1S/C16H11ClFN5O/c17-15-16(23-22-8-21-15)24-13-4-3-10(18)5-11(13)12-6-19-7-20-14(12)9-1-2-9/h3-9H,1-2H2
InChIKeyQFNZOEMBCYZBRB-UHFFFAOYSA-N
XLogP3.79
TPSA73.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.75
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazine?
The IUPAC name of 5-chloro-6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazine (CID 176719811) is 5-chloro-6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazine.
What is the SMILES notation for 5-chloro-6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazine?
The canonical SMILES for 5-chloro-6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazine is Fc1ccc(Oc2nncnc2Cl)c(-c2cncnc2C2CC2)c1.
What is the InChIKey of 5-chloro-6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazine?
The InChIKey is QFNZOEMBCYZBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN5O/c17-15-16(23-22-8-21-15)24-13-4-3-10(18)5-11(13)12-6-19-7-20-14(12)9-1-2-9/h3-9H,1-2H2.
What are the key properties of 5-chloro-6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazine?
5-chloro-6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazine has a molecular weight of 343.75 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[2-(4-cyclopropylpyrimidin-5-yl)-4-fluorophenoxy]-1,2,4-triazine is sourced from PubChem (CID 176719811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).