4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine

C12H17F3N4O — CID 167747628

IUPAC4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine
SMILESCc1nnc(N2CC(C(F)(F)F)OC(C)(C)C2)nc1C
InChIInChI=1S/C12H17F3N4O/c1-7-8(2)17-18-10(16-7)19-5-9(12(13,14)15)20-11(3,4)6-19/h9H,5-6H2,1-4H3
InChIKeyZTXZWKHDNHXPTC-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.03
Rot. Bonds1

About 4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine

4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine (PubChem CID 167747628) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine
PubChem CID167747628
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine
SMILESCc1nnc(N2CC(C(F)(F)F)OC(C)(C)C2)nc1C
InChIInChI=1S/C12H17F3N4O/c1-7-8(2)17-18-10(16-7)19-5-9(12(13,14)15)20-11(3,4)6-19/h9H,5-6H2,1-4H3
InChIKeyZTXZWKHDNHXPTC-UHFFFAOYSA-N
XLogP2.03
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(5,6-Dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]-2,2-difluoropropan-1-ol
CID 138019281
4-[5,6-Bis(trifluoromethyl)-1,2,4-triazin-3-yl]morpholine
CID 21605229
(2R)-3-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 100639005
(2S)-3-[4-(5,6-dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 100639019
N-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 106545889
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
5,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazin-3-amine
CID 114448195
3-[4-(5,6-Dimethyl-1,2,4-triazin-3-yl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 121515827
4-(6-Chloro-5-methyl-1,2,4-triazin-3-yl)-2,2-dimethylmorpholine
CID 171553521
4-(5-Chloro-6-methyl-1,2,4-triazin-3-yl)morpholine
CID 33701406
2-(Chloromethyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-6-methylmorpholine
CID 102937108

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine?
The IUPAC name of 4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine (CID 167747628) is 4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine?
The canonical SMILES for 4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine is Cc1nnc(N2CC(C(F)(F)F)OC(C)(C)C2)nc1C.
What is the InChIKey of 4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine?
The InChIKey is ZTXZWKHDNHXPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-7-8(2)17-18-10(16-7)19-5-9(12(13,14)15)20-11(3,4)6-19/h9H,5-6H2,1-4H3.
What are the key properties of 4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine?
4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine has a molecular weight of 290.29 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2-dimethyl-6-(trifluoromethyl)morpholine is sourced from PubChem (CID 167747628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).