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

C9H12F6N6O — CID 10019773

IUPAC[[4-(methylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
SMILESCNc1nc(NCC(F)(F)F)nc(N(CO)CC(F)(F)F)n1
InChIInChI=1S/C9H12F6N6O/c1-16-5-18-6(17-2-8(10,11)12)20-7(19-5)21(4-22)3-9(13,14)15/h22H,2-4H2,1H3,(H2,16,17,18,19,20)
InChIKeyOWOIAWPLJHGHQJ-UHFFFAOYSA-N
MW334.22 g/mol
LogP1.21
Rot. Bonds6

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

[[4-(methylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol (PubChem CID 10019773) has the molecular formula C9H12F6N6O and a molecular weight of 334.22 g/mol. Its IUPAC name is [[4-(methylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol.

Molecular Properties

Compound Name[[4-(methylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
PubChem CID10019773
Molecular FormulaC9H12F6N6O
Molecular Weight334.22 g/mol
Exact Mass334.10
IUPAC Name[[4-(methylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
SMILESCNc1nc(NCC(F)(F)F)nc(N(CO)CC(F)(F)F)n1
InChIInChI=1S/C9H12F6N6O/c1-16-5-18-6(17-2-8(10,11)12)20-7(19-5)21(4-22)3-9(13,14)15/h22H,2-4H2,1H3,(H2,16,17,18,19,20)
InChIKeyOWOIAWPLJHGHQJ-UHFFFAOYSA-N
XLogP1.21
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[[4,6-Bis(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 9978430
[[4,6-Bis[hydroxymethyl(2,2,2-trifluoroethyl)amino]-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 10457038
2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
CID 10384630
2-N,2-N,4-N,4-N-tetramethyl-6-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
CID 10038427
6-N-methyl-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
CID 10425108
[[4-[Hydroxymethyl(2,2,2-trifluoroethyl)amino]-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 10477894
[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 14925798
1-[(4,6-Difluoro-1,3,5-triazin-2-yl)amino]ethanol
CID 19897300
2-N,4-N-dimethyl-2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
CID 53729218
[2,2,2-Trifluoroethyl-[4-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]amino]methanol
CID 88318977
[[4-Methyl-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 88503485
[[4,6-Bis(methylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol
CID 10333116

Frequently Asked Questions

What is the IUPAC name of [[4-(methylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol?
The IUPAC name of [[4-(methylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol (CID 10019773) is [[4-(methylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol.
What is the SMILES notation for [[4-(methylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol?
The canonical SMILES for [[4-(methylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol is CNc1nc(NCC(F)(F)F)nc(N(CO)CC(F)(F)F)n1.
What is the InChIKey of [[4-(methylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol?
The InChIKey is OWOIAWPLJHGHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6N6O/c1-16-5-18-6(17-2-8(10,11)12)20-7(19-5)21(4-22)3-9(13,14)15/h22H,2-4H2,1H3,(H2,16,17,18,19,20).
What are the key properties of [[4-(methylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol?
[[4-(methylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol has a molecular weight of 334.22 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(methylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]-(2,2,2-trifluoroethyl)amino]methanol is sourced from PubChem (CID 10019773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).