5,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine

C8H10F4N4 — CID 106294256

IUPAC5,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine
SMILESCc1nnc(NCC(F)(F)C(F)F)nc1C
InChIInChI=1S/C8H10F4N4/c1-4-5(2)15-16-7(14-4)13-3-8(11,12)6(9)10/h6H,3H2,1-2H3,(H,13,14,16)
InChIKeySBAXACHONZDCPU-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.80
Rot. Bonds4

About 5,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine

5,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine (PubChem CID 106294256) has the molecular formula C8H10F4N4 and a molecular weight of 238.19 g/mol. Its IUPAC name is 5,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine
PubChem CID106294256
Molecular FormulaC8H10F4N4
Molecular Weight238.19 g/mol
Exact Mass238.08
IUPAC Name5,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine
SMILESCc1nnc(NCC(F)(F)C(F)F)nc1C
InChIInChI=1S/C8H10F4N4/c1-4-5(2)15-16-7(14-4)13-3-8(11,12)6(9)10/h6H,3H2,1-2H3,(H,13,14,16)
InChIKeySBAXACHONZDCPU-UHFFFAOYSA-N
XLogP1.80
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-Amino-5,6-dimethyl-1,2,4-triazine
CID 87163
N,5,6-trimethyl-1,2,4-triazin-3-amine
CID 13950669
5,6-Bis(trifluoromethyl)-1,2,4-triazin-3-amine
CID 168355036
5,6-Dimethyl-3-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-triazine
CID 126815495
3-Pyrrolidin-1-yl-5,6-bis(trifluoromethyl)-1,2,4-triazine
CID 21605227
N,N,5,6-tetramethyl-1,2,4-triazin-3-amine
CID 286859
N,N-dimethyl-5,6-bis(trifluoromethyl)-1,2,4-triazin-3-amine
CID 21605226
3-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 104918969
5,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-triazin-3-amine
CID 104923911
3-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-1,1-difluoropropan-2-ol
CID 104924655
5,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine
CID 104925409
3-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol
CID 104925417

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine (CID 106294256) is 5,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine is Cc1nnc(NCC(F)(F)C(F)F)nc1C.
What is the InChIKey of 5,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine?
The InChIKey is SBAXACHONZDCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N4/c1-4-5(2)15-16-7(14-4)13-3-8(11,12)6(9)10/h6H,3H2,1-2H3,(H,13,14,16).
What are the key properties of 5,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine?
5,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine has a molecular weight of 238.19 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 106294256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).