[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol

C10H17F3N6O — CID 14925798

IUPAC[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
SMILESCN(C)c1nc(N(C)C)nc(N(CO)CC(F)(F)F)n1
InChIInChI=1S/C10H17F3N6O/c1-17(2)7-14-8(18(3)4)16-9(15-7)19(6-20)5-10(11,12)13/h20H,5-6H2,1-4H3
InChIKeyKLBPFMOKDQRIDH-UHFFFAOYSA-N
MW294.28 g/mol
LogP0.32
Rot. Bonds5

About [[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol

[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol (PubChem CID 14925798) has the molecular formula C10H17F3N6O and a molecular weight of 294.28 g/mol. Its IUPAC name is [[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol.

Molecular Properties

Compound Name[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
PubChem CID14925798
Molecular FormulaC10H17F3N6O
Molecular Weight294.28 g/mol
Exact Mass294.14
IUPAC Name[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
SMILESCN(C)c1nc(N(C)C)nc(N(CO)CC(F)(F)F)n1
InChIInChI=1S/C10H17F3N6O/c1-17(2)7-14-8(18(3)4)16-9(15-7)19(6-20)5-10(11,12)13/h20H,5-6H2,1-4H3
InChIKeyKLBPFMOKDQRIDH-UHFFFAOYSA-N
XLogP0.32
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol?
The IUPAC name of [[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol (CID 14925798) is [[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol.
What is the SMILES notation for [[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol?
The canonical SMILES for [[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol is CN(C)c1nc(N(C)C)nc(N(CO)CC(F)(F)F)n1.
What is the InChIKey of [[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol?
The InChIKey is KLBPFMOKDQRIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N6O/c1-17(2)7-14-8(18(3)4)16-9(15-7)19(6-20)5-10(11,12)13/h20H,5-6H2,1-4H3.
What are the key properties of [[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol?
[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol has a molecular weight of 294.28 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol is sourced from PubChem (CID 14925798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).