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

C4H3F3N3- — CID 51397714

IUPAC3-methyl-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
SMILESCc1nnc(C(F)(F)F)[n-]1
InChIInChI=1S/C4H3F3N3/c1-2-8-3(10-9-2)4(5,6)7/h1H3/q-1
InChIKeyYBMGSFGOUQGYEM-UHFFFAOYSA-N
MW150.08 g/mol
LogP0.76
Rot. Bonds

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

3-methyl-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene (PubChem CID 51397714) has the molecular formula C4H3F3N3- and a molecular weight of 150.08 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
PubChem CID51397714
Molecular FormulaC4H3F3N3-
Molecular Weight150.08 g/mol
Exact Mass150.03
IUPAC Name3-methyl-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
SMILESCc1nnc(C(F)(F)F)[n-]1
InChIInChI=1S/C4H3F3N3/c1-2-8-3(10-9-2)4(5,6)7/h1H3/q-1
InChIKeyYBMGSFGOUQGYEM-UHFFFAOYSA-N
XLogP0.76
TPSA39.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.08
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 2783212
5-(difluoromethyl)-3-methyl-1H-1,2,4-triazole
CID 43166739
1,4,5-Trimethyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium
CID 91431739
4-Methyl-3,5-bis(trifluoromethyl)-1,2,4-triazole
CID 21811613
1,5-dimethyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 45791732
2,5-Dimethyl-3-(trifluoromethyl)-2H-1,2,4-triazole
CID 15439063
3,5-Dimethyl-4-(trifluoromethyl)-1,2,4-triazole
CID 20719698
3,5-Bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
CID 20746470
3-Isocyano-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
CID 20746471
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
CID 59233642
CID 59233642

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene (CID 51397714) is 3-methyl-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene is Cc1nnc(C(F)(F)F)[n-]1.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene?
The InChIKey is YBMGSFGOUQGYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N3/c1-2-8-3(10-9-2)4(5,6)7/h1H3/q-1.
What are the key properties of 3-methyl-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene?
3-methyl-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene has a molecular weight of 150.08 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene is sourced from PubChem (CID 51397714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).