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

C9H10F3N5O — CID 47277277

IUPAC1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol
SMILESCC(O)CNc1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C9H10F3N5O/c1-5(18)3-13-7-2-6(9(10,11)12)16-8-14-4-15-17(7)8/h2,4-5,13,18H,3H2,1H3
InChIKeyQBNXFZVJZUNQOP-UHFFFAOYSA-N
MW261.21 g/mol
LogP0.94
Rot. Bonds3

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

1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol (PubChem CID 47277277) has the molecular formula C9H10F3N5O and a molecular weight of 261.21 g/mol. Its IUPAC name is 1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol
PubChem CID47277277
Molecular FormulaC9H10F3N5O
Molecular Weight261.21 g/mol
Exact Mass261.08
IUPAC Name1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol
SMILESCC(O)CNc1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C9H10F3N5O/c1-5(18)3-13-7-2-6(9(10,11)12)16-8-14-4-15-17(7)8/h2,4-5,13,18H,3H2,1H3
InChIKeyQBNXFZVJZUNQOP-UHFFFAOYSA-N
XLogP0.94
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol with MolForge

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Related Compounds

(1,2,4)Triazolo(1,5-a)pyrimidin-7-amine, N-ethyl-5-methyl-
CID 40136
N-butan-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3226946
5-methyl-N-(prop-2-yn-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 645877
Ethanol, 2-(ethyl-(5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-yl)amino)-
CID 3041536
N-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1460800
Isobutyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-amine
CID 1460804
5-methyl-N-(3-morpholinopropyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 24219696
2-[(5-Methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 44317771
N-cyclobutyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259071
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56790905
1-[(5-Ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 56815285
N-(2-aminoethyl)-5-methyl-(1,2,4)triazolo(1,5-a)pyrimidin-7-amine dihydrochloride
CID 47002603

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol?
The IUPAC name of 1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol (CID 47277277) is 1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol is CC(O)CNc1cc(C(F)(F)F)nc2ncnn12.
What is the InChIKey of 1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol?
The InChIKey is QBNXFZVJZUNQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5O/c1-5(18)3-13-7-2-6(9(10,11)12)16-8-14-4-15-17(7)8/h2,4-5,13,18H,3H2,1H3.
What are the key properties of 1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol?
1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol has a molecular weight of 261.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol is sourced from PubChem (CID 47277277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).