N,4-diethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-amine

C9H12F6N4 — CID 103309485

IUPACN,4-diethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-amine
SMILESCCNc1nnc(C(C(F)(F)F)C(F)(F)F)n1CC
InChIInChI=1S/C9H12F6N4/c1-3-16-7-18-17-6(19(7)4-2)5(8(10,11)12)9(13,14)15/h5H,3-4H2,1-2H3,(H,16,18)
InChIKeyUFTIZEQVPSBAHF-UHFFFAOYSA-N
MW290.21 g/mol
LogP2.94
Rot. Bonds4

About N,4-diethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-amine

N,4-diethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-amine (PubChem CID 103309485) has the molecular formula C9H12F6N4 and a molecular weight of 290.21 g/mol. Its IUPAC name is N,4-diethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-amine
PubChem CID103309485
Molecular FormulaC9H12F6N4
Molecular Weight290.21 g/mol
Exact Mass290.10
IUPAC NameN,4-diethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-amine
SMILESCCNc1nnc(C(C(F)(F)F)C(F)(F)F)n1CC
InChIInChI=1S/C9H12F6N4/c1-3-16-7-18-17-6(19(7)4-2)5(8(10,11)12)9(13,14)15/h5H,3-4H2,1-2H3,(H,16,18)
InChIKeyUFTIZEQVPSBAHF-UHFFFAOYSA-N
XLogP2.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,4-diethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-amine with MolForge

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Related Compounds

1-(3-Fluoropropyl)-4,5-dimethyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium
CID 91186237
5-ethyl-N,4-dimethyl-1,2,4-triazol-3-amine
CID 55286631
1-[(4-Methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 86792368
N,1-dipropyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
CID 11333814
3,4-Di(propan-2-yl)-5-(trifluoromethyl)-1,2,4-triazole
CID 57973802
[(1R)-1-[4-ethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethyl]azanium
CID 59438764
(1R)-1-[4-ethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanamine
CID 59438765
3-Methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 68355367
5-Propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine
CID 68393362
1-[4-Ethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanamine;hydrochloride
CID 68476482
1-[4-Ethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanamine
CID 68476483
5-Methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine
CID 69041126

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-diethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-amine (CID 103309485) is N,4-diethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-diethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-amine is CCNc1nnc(C(C(F)(F)F)C(F)(F)F)n1CC.
What is the InChIKey of N,4-diethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-amine?
The InChIKey is UFTIZEQVPSBAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6N4/c1-3-16-7-18-17-6(19(7)4-2)5(8(10,11)12)9(13,14)15/h5H,3-4H2,1-2H3,(H,16,18).
What are the key properties of N,4-diethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-amine?
N,4-diethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-amine has a molecular weight of 290.21 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 103309485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).