1-methoxy-3-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol

C10H12F3N5O2 — CID 56792197

IUPAC1-methoxy-3-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol
SMILESCOCC(O)CNc1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C10H12F3N5O2/c1-20-4-6(19)3-14-8-2-7(10(11,12)13)17-9-15-5-16-18(8)9/h2,5-6,14,19H,3-4H2,1H3
InChIKeyREGAXHUFPHQBLC-UHFFFAOYSA-N
MW291.23 g/mol
LogP0.56
Rot. Bonds5

About 1-methoxy-3-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol

1-methoxy-3-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol (PubChem CID 56792197) has the molecular formula C10H12F3N5O2 and a molecular weight of 291.23 g/mol. Its IUPAC name is 1-methoxy-3-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol
PubChem CID56792197
Molecular FormulaC10H12F3N5O2
Molecular Weight291.23 g/mol
Exact Mass291.09
IUPAC Name1-methoxy-3-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol
SMILESCOCC(O)CNc1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C10H12F3N5O2/c1-20-4-6(19)3-14-8-2-7(10(11,12)13)17-9-15-5-16-18(8)9/h2,5-6,14,19H,3-4H2,1H3
InChIKeyREGAXHUFPHQBLC-UHFFFAOYSA-N
XLogP0.56
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol (CID 56792197) is 1-methoxy-3-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol is COCC(O)CNc1cc(C(F)(F)F)nc2ncnn12.
What is the InChIKey of 1-methoxy-3-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol?
The InChIKey is REGAXHUFPHQBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O2/c1-20-4-6(19)3-14-8-2-7(10(11,12)13)17-9-15-5-16-18(8)9/h2,5-6,14,19H,3-4H2,1H3.
What are the key properties of 1-methoxy-3-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol?
1-methoxy-3-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol has a molecular weight of 291.23 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol is sourced from PubChem (CID 56792197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).