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

C9H13F3N4 — CID 104925409

IUPAC5,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine
SMILESCc1nnc(NC(C)CC(F)(F)F)nc1C
InChIInChI=1S/C9H13F3N4/c1-5(4-9(10,11)12)13-8-14-6(2)7(3)15-16-8/h5H,4H2,1-3H3,(H,13,14,16)
InChIKeyNZGLAFARCUUIKR-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.24
Rot. Bonds3

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

5,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine (PubChem CID 104925409) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 5,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine
PubChem CID104925409
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name5,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine
SMILESCc1nnc(NC(C)CC(F)(F)F)nc1C
InChIInChI=1S/C9H13F3N4/c1-5(4-9(10,11)12)13-8-14-6(2)7(3)15-16-8/h5H,4H2,1-3H3,(H,13,14,16)
InChIKeyNZGLAFARCUUIKR-UHFFFAOYSA-N
XLogP2.24
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine with MolForge

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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-Dimethyl-3-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-triazine
CID 126815495
6-chloro-N-(2,2-difluoroethyl)-5-methyl-1,2,4-triazin-3-amine
CID 171763678
6-chloro-N-[(1S)-3,3-difluorocyclopentyl]-5-methyl-1,2,4-triazin-3-amine
CID 171763707
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
3-[(5,6-Dimethyl-1,2,4-triazin-3-yl)amino]-2,2-difluoropropan-1-ol
CID 104925417
5,6-diethyl-N-(2,2,2-trifluoroethyl)-1,2,4-triazin-3-amine
CID 105362384
5,6-diethyl-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-3-amine
CID 105362627
N-(2,2-difluoroethyl)-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362760

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine?
The IUPAC name of 5,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine (CID 104925409) is 5,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine is Cc1nnc(NC(C)CC(F)(F)F)nc1C.
What is the InChIKey of 5,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine?
The InChIKey is NZGLAFARCUUIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-5(4-9(10,11)12)13-8-14-6(2)7(3)15-16-8/h5H,4H2,1-3H3,(H,13,14,16).
What are the key properties of 5,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine?
5,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine has a molecular weight of 234.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 104925409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).