1-methyl-4,5-bis(trifluoromethyl)triazole

C5H3F6N3 — CID 14489365

IUPAC1-methyl-4,5-bis(trifluoromethyl)triazole
SMILESCn1nnc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C5H3F6N3/c1-14-3(5(9,10)11)2(12-13-14)4(6,7)8/h1H3
InChIKeyOOFAKPZHIUTNER-UHFFFAOYSA-N
MW219.09 g/mol
LogP1.85
Rot. Bonds

About 1-methyl-4,5-bis(trifluoromethyl)triazole

1-methyl-4,5-bis(trifluoromethyl)triazole (PubChem CID 14489365) has the molecular formula C5H3F6N3 and a molecular weight of 219.09 g/mol. Its IUPAC name is 1-methyl-4,5-bis(trifluoromethyl)triazole.

Molecular Properties

Compound Name1-methyl-4,5-bis(trifluoromethyl)triazole
PubChem CID14489365
Molecular FormulaC5H3F6N3
Molecular Weight219.09 g/mol
Exact Mass219.02
IUPAC Name1-methyl-4,5-bis(trifluoromethyl)triazole
SMILESCn1nnc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C5H3F6N3/c1-14-3(5(9,10)11)2(12-13-14)4(6,7)8/h1H3
InChIKeyOOFAKPZHIUTNER-UHFFFAOYSA-N
XLogP1.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.09
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carbonitrile
CID 69386294
1,4,5-Trimethyltriazole
CID 12247338
5-Bromo-1-methyl-4-(trifluoromethyl)triazole
CID 14489359
1,4-Dimethyl-5-(trifluoromethyl)triazole
CID 20719662
1-Ethyl-5-fluoro-4-(trifluoromethyl)triazole
CID 69381685
5-Chloro-1-methyl-4-(trifluoromethyl)triazole
CID 69382340
5-Methyl-1-propan-2-yl-4-(trifluoromethyl)triazole
CID 69382496
4-Methyl-1-propan-2-yl-5-(trifluoromethyl)triazole
CID 69382511
1,5-Dimethyl-4-(trifluoromethyl)triazole
CID 69382668
5-Fluoro-1-methyl-4-(trifluoromethyl)triazole
CID 69382770
4-Fluoro-1-methyl-5-(trifluoromethyl)triazole
CID 69382819
4-Fluoro-1-propyl-5-(trifluoromethyl)triazole
CID 69382881

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,5-bis(trifluoromethyl)triazole?
The IUPAC name of 1-methyl-4,5-bis(trifluoromethyl)triazole (CID 14489365) is 1-methyl-4,5-bis(trifluoromethyl)triazole.
What is the SMILES notation for 1-methyl-4,5-bis(trifluoromethyl)triazole?
The canonical SMILES for 1-methyl-4,5-bis(trifluoromethyl)triazole is Cn1nnc(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 1-methyl-4,5-bis(trifluoromethyl)triazole?
The InChIKey is OOFAKPZHIUTNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F6N3/c1-14-3(5(9,10)11)2(12-13-14)4(6,7)8/h1H3.
What are the key properties of 1-methyl-4,5-bis(trifluoromethyl)triazole?
1-methyl-4,5-bis(trifluoromethyl)triazole has a molecular weight of 219.09 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5-bis(trifluoromethyl)triazole is sourced from PubChem (CID 14489365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).