3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol

C8H11F3N4O — CID 104918969

IUPAC3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCc1nnc(NCC(O)C(F)(F)F)nc1C
InChIInChI=1S/C8H11F3N4O/c1-4-5(2)14-15-7(13-4)12-3-6(16)8(9,10)11/h6,16H,3H2,1-2H3,(H,12,13,15)
InChIKeyTZHYFAXXVAOWTJ-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.82
Rot. Bonds3

About 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol

3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 104918969) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID104918969
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCc1nnc(NCC(O)C(F)(F)F)nc1C
InChIInChI=1S/C8H11F3N4O/c1-4-5(2)14-15-7(13-4)12-3-6(16)8(9,10)11/h6,16H,3H2,1-2H3,(H,12,13,15)
InChIKeyTZHYFAXXVAOWTJ-UHFFFAOYSA-N
XLogP0.82
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol (CID 104918969) is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol is Cc1nnc(NCC(O)C(F)(F)F)nc1C.
What is the InChIKey of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is TZHYFAXXVAOWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-4-5(2)14-15-7(13-4)12-3-6(16)8(9,10)11/h6,16H,3H2,1-2H3,(H,12,13,15).
What are the key properties of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 236.20 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 104918969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).