1-(5-amino-6-methyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)azetidin-3-ol

C8H10F3N5O — CID 144867891

IUPAC1-(5-amino-6-methyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)azetidin-3-ol
SMILESCc1nnc(N2CC(O)(C(F)(F)F)C2)nc1N
InChIInChI=1S/C8H10F3N5O/c1-4-5(12)13-6(15-14-4)16-2-7(17,3-16)8(9,10)11/h17H,2-3H2,1H3,(H2,12,13,15)
InChIKeyQPTGYFZIUFVZMH-UHFFFAOYSA-N
MW249.20 g/mol
LogP-0.12
Rot. Bonds1

About 1-(5-amino-6-methyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)azetidin-3-ol

1-(5-amino-6-methyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)azetidin-3-ol (PubChem CID 144867891) has the molecular formula C8H10F3N5O and a molecular weight of 249.20 g/mol. Its IUPAC name is 1-(5-amino-6-methyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(5-amino-6-methyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)azetidin-3-ol
PubChem CID144867891
Molecular FormulaC8H10F3N5O
Molecular Weight249.20 g/mol
Exact Mass249.08
IUPAC Name1-(5-amino-6-methyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)azetidin-3-ol
SMILESCc1nnc(N2CC(O)(C(F)(F)F)C2)nc1N
InChIInChI=1S/C8H10F3N5O/c1-4-5(12)13-6(15-14-4)16-2-7(17,3-16)8(9,10)11/h17H,2-3H2,1H3,(H2,12,13,15)
InChIKeyQPTGYFZIUFVZMH-UHFFFAOYSA-N
XLogP-0.12
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-Dimethyl-3-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-triazine
CID 126815495
2-[2,2-Difluoroethyl-(5,6-dimethyl-1,2,4-triazin-3-yl)amino]ethanol
CID 107484296
2-[(5,6-Dimethyl-1,2,4-triazin-3-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484584
1-(5,6-Dimethyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 113586257
1-(Dimethylamino)-3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol
CID 104924994
1-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-2-methylpropan-2-ol
CID 114383242
1-[(5,6-Dimethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropan-2-ol
CID 114383249
1-(5,6-Dimethyl-1,2,4-triazin-3-yl)azetidin-3-ol
CID 114448479
1-[(5,6-Dimethyl-1,2,4-triazin-3-yl)-ethylamino]-2-methylpropan-2-ol
CID 114448559
1-(5,6-Dimethyl-1,2,4-triazin-3-yl)-3-methylazetidin-3-ol
CID 114787388
1-(5,6-Dimethyl-1,2,4-triazin-3-yl)-3-ethylazetidin-3-ol
CID 114787389
1-(5,6-Dimethyl-1,2,4-triazin-3-yl)-3-propan-2-ylazetidin-3-ol
CID 114787392

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-methyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)azetidin-3-ol?
The IUPAC name of 1-(5-amino-6-methyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)azetidin-3-ol (CID 144867891) is 1-(5-amino-6-methyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)azetidin-3-ol.
What is the SMILES notation for 1-(5-amino-6-methyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)azetidin-3-ol?
The canonical SMILES for 1-(5-amino-6-methyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)azetidin-3-ol is Cc1nnc(N2CC(O)(C(F)(F)F)C2)nc1N.
What is the InChIKey of 1-(5-amino-6-methyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)azetidin-3-ol?
The InChIKey is QPTGYFZIUFVZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N5O/c1-4-5(12)13-6(15-14-4)16-2-7(17,3-16)8(9,10)11/h17H,2-3H2,1H3,(H2,12,13,15).
What are the key properties of 1-(5-amino-6-methyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)azetidin-3-ol?
1-(5-amino-6-methyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)azetidin-3-ol has a molecular weight of 249.20 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-methyl-1,2,4-triazin-3-yl)-3-(trifluoromethyl)azetidin-3-ol is sourced from PubChem (CID 144867891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).