N,N,2-trimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine

C6H9F3N4 — CID 22091030

IUPACN,N,2-trimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
SMILESCN(C)c1nc(C(F)(F)F)nn1C
InChIInChI=1S/C6H9F3N4/c1-12(2)5-10-4(6(7,8)9)11-13(5)3/h1-3H3
InChIKeyAMZVRAYYXZHJDO-UHFFFAOYSA-N
MW194.16 g/mol
LogP0.90
Rot. Bonds1

About N,N,2-trimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine

N,N,2-trimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine (PubChem CID 22091030) has the molecular formula C6H9F3N4 and a molecular weight of 194.16 g/mol. Its IUPAC name is N,N,2-trimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
PubChem CID22091030
Molecular FormulaC6H9F3N4
Molecular Weight194.16 g/mol
Exact Mass194.08
IUPAC NameN,N,2-trimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
SMILESCN(C)c1nc(C(F)(F)F)nn1C
InChIInChI=1S/C6H9F3N4/c1-12(2)5-10-4(6(7,8)9)11-13(5)3/h1-3H3
InChIKeyAMZVRAYYXZHJDO-UHFFFAOYSA-N
XLogP0.90
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-3-(trifluoromethyl)-4H-1,2,4-triazole
CID 23067454
5-bromo-1-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 74890143
5-bromo-3-(difluoromethyl)-1-methyl-1H-1,2,4-triazole
CID 155821892
1,4,5-Trimethyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium
CID 91431739
4-Methyl-3,5-bis(trifluoromethyl)-1,2,4-triazole
CID 21811613
1-(Difluoromethyl)-3-methyl-1h-1,2,4-triazole
CID 89925217
1-(Difluoromethyl)-5-methyl-1h-1,2,4-triazole
CID 138392529
1,5-dimethyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 45791732
N,1-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
CID 11206128
1-(3-Fluoropropyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 85946582
1-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5-amine
CID 12774391
2,5-Dimethyl-3-(trifluoromethyl)-2H-1,2,4-triazole
CID 15439063

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
The IUPAC name of N,N,2-trimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine (CID 22091030) is N,N,2-trimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,N,2-trimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,N,2-trimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine is CN(C)c1nc(C(F)(F)F)nn1C.
What is the InChIKey of N,N,2-trimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
The InChIKey is AMZVRAYYXZHJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4/c1-12(2)5-10-4(6(7,8)9)11-13(5)3/h1-3H3.
What are the key properties of N,N,2-trimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
N,N,2-trimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine has a molecular weight of 194.16 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 22091030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).