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

C10H15F3N4O — CID 102677457

IUPAC3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCc1nnc(NCC(O)C(F)(F)F)nc1CC
InChIInChI=1S/C10H15F3N4O/c1-3-6-7(4-2)16-17-9(15-6)14-5-8(18)10(11,12)13/h8,18H,3-5H2,1-2H3,(H,14,15,17)
InChIKeyZEIQEGMFRJFJAS-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.33
Rot. Bonds5

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

3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 102677457) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID102677457
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCCc1nnc(NCC(O)C(F)(F)F)nc1CC
InChIInChI=1S/C10H15F3N4O/c1-3-6-7(4-2)16-17-9(15-6)14-5-8(18)10(11,12)13/h8,18H,3-5H2,1-2H3,(H,14,15,17)
InChIKeyZEIQEGMFRJFJAS-UHFFFAOYSA-N
XLogP1.33
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol (CID 102677457) is 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol is CCc1nnc(NCC(O)C(F)(F)F)nc1CC.
What is the InChIKey of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is ZEIQEGMFRJFJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-3-6-7(4-2)16-17-9(15-6)14-5-8(18)10(11,12)13/h8,18H,3-5H2,1-2H3,(H,14,15,17).
What are the key properties of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 264.25 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 102677457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).