5-(3,3-difluoro-2-methylpentan-2-yl)-1H-1,2,4-triazol-3-amine

C8H14F2N4 — CID 164649342

IUPAC5-(3,3-difluoro-2-methylpentan-2-yl)-1H-1,2,4-triazol-3-amine
SMILESCCC(F)(F)C(C)(C)c1nc(N)n[nH]1
InChIInChI=1S/C8H14F2N4/c1-4-8(9,10)7(2,3)5-12-6(11)14-13-5/h4H2,1-3H3,(H3,11,12,13,14)
InChIKeyJOWUECWAEGAOBX-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.71
Rot. Bonds3

About 5-(3,3-difluoro-2-methylpentan-2-yl)-1H-1,2,4-triazol-3-amine

5-(3,3-difluoro-2-methylpentan-2-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 164649342) has the molecular formula C8H14F2N4 and a molecular weight of 204.22 g/mol. Its IUPAC name is 5-(3,3-difluoro-2-methylpentan-2-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3,3-difluoro-2-methylpentan-2-yl)-1H-1,2,4-triazol-3-amine
PubChem CID164649342
Molecular FormulaC8H14F2N4
Molecular Weight204.22 g/mol
Exact Mass204.12
IUPAC Name5-(3,3-difluoro-2-methylpentan-2-yl)-1H-1,2,4-triazol-3-amine
SMILESCCC(F)(F)C(C)(C)c1nc(N)n[nH]1
InChIInChI=1S/C8H14F2N4/c1-4-8(9,10)7(2,3)5-12-6(11)14-13-5/h4H2,1-3H3,(H3,11,12,13,14)
InChIKeyJOWUECWAEGAOBX-UHFFFAOYSA-N
XLogP1.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-pentyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 10013238
5-(3-ethyl-6-fluorohexan-3-yl)-1H-1,2,4-triazol-3-amine
CID 19911913
3-tert-butyl-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 21352033
3-butyl-5-(1,1-difluorobutyl)-1H-1,2,4-triazole
CID 21898394
5-butyl-3-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-1,2,4-triazole
CID 21898537
5-butyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-1,2,4-triazole
CID 21899031
5-butyl-3-(difluoromethyl)-1H-1,2,4-triazole
CID 21899052
3-(2-methylbutan-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 70989996
5-(2,2-dimethylpropyl)-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 129231481
5-methyl-3-(3,3,4-trifluoro-2,4-dimethylpentan-2-yl)-1H-1,2,4-triazole
CID 144041882
3-fluoro-5-(6-methyldodecan-6-yl)-1H-1,2,4-triazole
CID 146376894
5-butyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 154057987

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoro-2-methylpentan-2-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3,3-difluoro-2-methylpentan-2-yl)-1H-1,2,4-triazol-3-amine (CID 164649342) is 5-(3,3-difluoro-2-methylpentan-2-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3,3-difluoro-2-methylpentan-2-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3,3-difluoro-2-methylpentan-2-yl)-1H-1,2,4-triazol-3-amine is CCC(F)(F)C(C)(C)c1nc(N)n[nH]1.
What is the InChIKey of 5-(3,3-difluoro-2-methylpentan-2-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is JOWUECWAEGAOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N4/c1-4-8(9,10)7(2,3)5-12-6(11)14-13-5/h4H2,1-3H3,(H3,11,12,13,14).
What are the key properties of 5-(3,3-difluoro-2-methylpentan-2-yl)-1H-1,2,4-triazol-3-amine?
5-(3,3-difluoro-2-methylpentan-2-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 204.22 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoro-2-methylpentan-2-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 164649342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).