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

C5H7F3N4 — CID 11206128

IUPACN,1-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
SMILESCNc1nc(C(F)(F)F)n(C)n1
InChIInChI=1S/C5H7F3N4/c1-9-4-10-3(5(6,7)8)12(2)11-4/h1-2H3,(H,9,11)
InChIKeyCRKFJKSIYSUEET-UHFFFAOYSA-N
MW180.13 g/mol
LogP0.88
Rot. Bonds1

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

N,1-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine (PubChem CID 11206128) has the molecular formula C5H7F3N4 and a molecular weight of 180.13 g/mol. Its IUPAC name is N,1-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,1-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
PubChem CID11206128
Molecular FormulaC5H7F3N4
Molecular Weight180.13 g/mol
Exact Mass180.06
IUPAC NameN,1-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
SMILESCNc1nc(C(F)(F)F)n(C)n1
InChIInChI=1S/C5H7F3N4/c1-9-4-10-3(5(6,7)8)12(2)11-4/h1-2H3,(H,9,11)
InChIKeyCRKFJKSIYSUEET-UHFFFAOYSA-N
XLogP0.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl-1H-1,2,4-triazol-3-amine
CID 307976
5-(Heptafluoropropyl)-N,1-dimethyl-1H-1,2,4-triazol-3-amine
CID 11185092
1,3-dimethyl-1H-1,2,4-triazol-5-amine
CID 307975
5-amino-1-methyl-1H-1,2,4-triazole-3-carbonitrile
CID 121313892
1,5-dimethyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 45791732
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
1-Methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 17770305
5-Chloro-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 20026137
N,N,2-trimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
CID 22091030
1-Methyl-3,5-bis(trifluoromethyl)-1,2,4-triazole
CID 57552004
3-Fluoro-1-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 59173009

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
The IUPAC name of N,1-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine (CID 11206128) is N,1-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,1-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,1-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine is CNc1nc(C(F)(F)F)n(C)n1.
What is the InChIKey of N,1-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
The InChIKey is CRKFJKSIYSUEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N4/c1-9-4-10-3(5(6,7)8)12(2)11-4/h1-2H3,(H,9,11).
What are the key properties of N,1-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine?
N,1-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine has a molecular weight of 180.13 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 11206128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).