2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-3-amine

C5H5F5N4 — CID 104605357

IUPAC2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-3-amine
SMILESCn1nc(C(F)(F)C(F)(F)F)nc1N
InChIInChI=1S/C5H5F5N4/c1-14-3(11)12-2(13-14)4(6,7)5(8,9)10/h1H3,(H2,11,12,13)
InChIKeyNPHXSBONSAQYRO-UHFFFAOYSA-N
MW216.11 g/mol
LogP1.05
Rot. Bonds1

About 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-3-amine

2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-3-amine (PubChem CID 104605357) has the molecular formula C5H5F5N4 and a molecular weight of 216.11 g/mol. Its IUPAC name is 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-3-amine
PubChem CID104605357
Molecular FormulaC5H5F5N4
Molecular Weight216.11 g/mol
Exact Mass216.04
IUPAC Name2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-3-amine
SMILESCn1nc(C(F)(F)C(F)(F)F)nc1N
InChIInChI=1S/C5H5F5N4/c1-14-3(11)12-2(13-14)4(6,7)5(8,9)10/h1H3,(H2,11,12,13)
InChIKeyNPHXSBONSAQYRO-UHFFFAOYSA-N
XLogP1.05
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-(Heptafluoropropyl)-N,1-dimethyl-1H-1,2,4-triazol-3-amine
CID 11185092
5-(Heptafluoropropyl)-3-methoxy-1-methyl-1H-1,2,4-triazole
CID 11254517
5-Ethyl-1-methyl-1H-1,2,4-triazol-3-amine
CID 12523007
1-methyl-3-(propan-2-yl)-1H-1,2,4-triazol-5-amine
CID 50986546
N,1-dimethyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,2,4-triazol-3-amine
CID 11202443
3-ethyl-1-methyl-1H-1,2,4-triazol-5-amine
CID 12450937
3,5-Bis(1,1,2,2,3,3,3-heptafluoropropyl)-1-methyl-1,2,4-triazole
CID 259674
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
N,N,2-trimethyl-5-(trifluoromethyl)-1,2,4-triazol-3-amine
CID 22091030
1-Methyl-3-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazole
CID 23149170

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-3-amine (CID 104605357) is 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-3-amine is Cn1nc(C(F)(F)C(F)(F)F)nc1N.
What is the InChIKey of 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-3-amine?
The InChIKey is NPHXSBONSAQYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5N4/c1-14-3(11)12-2(13-14)4(6,7)5(8,9)10/h1H3,(H2,11,12,13).
What are the key properties of 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-3-amine?
2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-3-amine has a molecular weight of 216.11 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 104605357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).