1,1,1-trifluoro-2-[1-(4-methoxypyrimidin-2-yl)triazol-4-yl]propan-2-ol

C10H10F3N5O2 — CID 167761632

IUPAC1,1,1-trifluoro-2-[1-(4-methoxypyrimidin-2-yl)triazol-4-yl]propan-2-ol
SMILESCOc1ccnc(-n2cc(C(C)(O)C(F)(F)F)nn2)n1
InChIInChI=1S/C10H10F3N5O2/c1-9(19,10(11,12)13)6-5-18(17-16-6)8-14-4-3-7(15-8)20-2/h3-5,19H,1-2H3
InChIKeyXNZXNZBCOOKKBD-UHFFFAOYSA-N
MW289.22 g/mol
LogP0.84
Rot. Bonds3

About 1,1,1-trifluoro-2-[1-(4-methoxypyrimidin-2-yl)triazol-4-yl]propan-2-ol

1,1,1-trifluoro-2-[1-(4-methoxypyrimidin-2-yl)triazol-4-yl]propan-2-ol (PubChem CID 167761632) has the molecular formula C10H10F3N5O2 and a molecular weight of 289.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[1-(4-methoxypyrimidin-2-yl)triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[1-(4-methoxypyrimidin-2-yl)triazol-4-yl]propan-2-ol
PubChem CID167761632
Molecular FormulaC10H10F3N5O2
Molecular Weight289.22 g/mol
Exact Mass289.08
IUPAC Name1,1,1-trifluoro-2-[1-(4-methoxypyrimidin-2-yl)triazol-4-yl]propan-2-ol
SMILESCOc1ccnc(-n2cc(C(C)(O)C(F)(F)F)nn2)n1
InChIInChI=1S/C10H10F3N5O2/c1-9(19,10(11,12)13)6-5-18(17-16-6)8-14-4-3-7(15-8)20-2/h3-5,19H,1-2H3
InChIKeyXNZXNZBCOOKKBD-UHFFFAOYSA-N
XLogP0.84
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[1-(4-methoxypyrimidin-2-yl)triazol-4-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[1-(4-methoxypyrimidin-2-yl)triazol-4-yl]propan-2-ol (CID 167761632) is 1,1,1-trifluoro-2-[1-(4-methoxypyrimidin-2-yl)triazol-4-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[1-(4-methoxypyrimidin-2-yl)triazol-4-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[1-(4-methoxypyrimidin-2-yl)triazol-4-yl]propan-2-ol is COc1ccnc(-n2cc(C(C)(O)C(F)(F)F)nn2)n1.
What is the InChIKey of 1,1,1-trifluoro-2-[1-(4-methoxypyrimidin-2-yl)triazol-4-yl]propan-2-ol?
The InChIKey is XNZXNZBCOOKKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O2/c1-9(19,10(11,12)13)6-5-18(17-16-6)8-14-4-3-7(15-8)20-2/h3-5,19H,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-[1-(4-methoxypyrimidin-2-yl)triazol-4-yl]propan-2-ol?
1,1,1-trifluoro-2-[1-(4-methoxypyrimidin-2-yl)triazol-4-yl]propan-2-ol has a molecular weight of 289.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[1-(4-methoxypyrimidin-2-yl)triazol-4-yl]propan-2-ol is sourced from PubChem (CID 167761632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).