3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene

C4F6N3- — CID 20746470

IUPAC3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
SMILESFC(F)(F)c1nnc(C(F)(F)F)[n-]1
InChIInChI=1S/C4F6N3/c5-3(6,7)1-11-2(13-12-1)4(8,9)10/q-1
InChIKeyMDTHCVGTEWEUHU-UHFFFAOYSA-N
MW204.05 g/mol
LogP1.47
Rot. Bonds

About 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene

3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene (PubChem CID 20746470) has the molecular formula C4F6N3- and a molecular weight of 204.05 g/mol. Its IUPAC name is 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene.

Molecular Properties

Compound Name3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
PubChem CID20746470
Molecular FormulaC4F6N3-
Molecular Weight204.05 g/mol
Exact Mass204.00
IUPAC Name3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
SMILESFC(F)(F)c1nnc(C(F)(F)F)[n-]1
InChIInChI=1S/C4F6N3/c5-3(6,7)1-11-2(13-12-1)4(8,9)10/q-1
InChIKeyMDTHCVGTEWEUHU-UHFFFAOYSA-N
XLogP1.47
TPSA39.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.05
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Bis(trifluoromethyl)-4H-1,2,4-triazol-4-amine
CID 14296378
4-Methyl-3,5-bis(trifluoromethyl)-1,2,4-triazole
CID 21811613
3,5-bis(trifluoromethyl)-1H-1,2,4-triazole
CID 14688516
3,5-Dimethyl-4-(trifluoromethyl)-1,2,4-triazole
CID 20719698
3-Isocyano-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
CID 20746471
3-Methyl-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
CID 51397714
1-Methyl-3,5-bis(trifluoromethyl)-1,2,4-triazole
CID 57552004
3-Fluoro-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
CID 58361887
3-Fluoro-1-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 59173009
5-Fluoro-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 59585164
1-Iodo-3-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 143593337
1-Iodo-5-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 144505237

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene?
The IUPAC name of 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene (CID 20746470) is 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene.
What is the SMILES notation for 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene?
The canonical SMILES for 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene is FC(F)(F)c1nnc(C(F)(F)F)[n-]1.
What is the InChIKey of 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene?
The InChIKey is MDTHCVGTEWEUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F6N3/c5-3(6,7)1-11-2(13-12-1)4(8,9)10/q-1.
What are the key properties of 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene?
3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene has a molecular weight of 204.05 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene is sourced from PubChem (CID 20746470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).