4-(trifluoromethyl)triazol-1-amine

C3H3F3N4 — CID 19889053

IUPAC4-(trifluoromethyl)triazol-1-amine
SMILESNn1cc(C(F)(F)F)nn1
InChIInChI=1S/C3H3F3N4/c4-3(5,6)2-1-10(7)9-8-2/h1H,7H2
InChIKeyAVLHRMQIQCRRAC-UHFFFAOYSA-N
MW152.08 g/mol
LogP0.01
Rot. Bonds

About 4-(trifluoromethyl)triazol-1-amine

4-(trifluoromethyl)triazol-1-amine (PubChem CID 19889053) has the molecular formula C3H3F3N4 and a molecular weight of 152.08 g/mol. Its IUPAC name is 4-(trifluoromethyl)triazol-1-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)triazol-1-amine
PubChem CID19889053
Molecular FormulaC3H3F3N4
Molecular Weight152.08 g/mol
Exact Mass152.03
IUPAC Name4-(trifluoromethyl)triazol-1-amine
SMILESNn1cc(C(F)(F)F)nn1
InChIInChI=1S/C3H3F3N4/c4-3(5,6)2-1-10(7)9-8-2/h1H,7H2
InChIKeyAVLHRMQIQCRRAC-UHFFFAOYSA-N
XLogP0.01
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.08
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-4-(trifluoromethyl)triazole
CID 91300537
1-(4-bromophenyl)-4-(trifluoromethyl)triazole
CID 165447875
4-(trifluoromethyl)pyrazol-1-amine
CID 66968628
pyrazolo[4,3-d]triazin-3-amine
CID 67783435
3-amino-1,1,1-trifluoro-2-(1-methyltriazol-4-yl)propan-2-ol
CID 130603078
2,2-difluoro-2-(1-methyltriazol-4-yl)acetic acid
CID 130603022
[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]triazol-4-yl]methanamine
CID 62443327
1-methyl-4-(trifluoromethyl)imidazole
CID 12785667
[2-propan-2-yl-5-[4-(trifluoromethyl)triazol-1-yl]phenyl]methanol
CID 174821236
bis(1,4-ditert-butyltriazole);methane
CID 158842263
2,4-dimethyl-4-(1-methyltriazol-4-yl)pentan-2-amine;ethane
CID 171085136
methanamine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)imidazole
CID 177004636

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)triazol-1-amine?
The IUPAC name of 4-(trifluoromethyl)triazol-1-amine (CID 19889053) is 4-(trifluoromethyl)triazol-1-amine.
What is the SMILES notation for 4-(trifluoromethyl)triazol-1-amine?
The canonical SMILES for 4-(trifluoromethyl)triazol-1-amine is Nn1cc(C(F)(F)F)nn1.
What is the InChIKey of 4-(trifluoromethyl)triazol-1-amine?
The InChIKey is AVLHRMQIQCRRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3N4/c4-3(5,6)2-1-10(7)9-8-2/h1H,7H2.
What are the key properties of 4-(trifluoromethyl)triazol-1-amine?
4-(trifluoromethyl)triazol-1-amine has a molecular weight of 152.08 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)triazol-1-amine is sourced from PubChem (CID 19889053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).