3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-amine

C6H7F3N4 — CID 82403057

IUPAC3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-amine
SMILESNC1CCn2c1nnc2C(F)(F)F
InChIInChI=1S/C6H7F3N4/c7-6(8,9)5-12-11-4-3(10)1-2-13(4)5/h3H,1-2,10H2
InChIKeyQUMTYTONAKJXNP-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.70
Rot. Bonds

About 3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-amine

3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-amine (PubChem CID 82403057) has the molecular formula C6H7F3N4 and a molecular weight of 192.14 g/mol. Its IUPAC name is 3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-amine
PubChem CID82403057
Molecular FormulaC6H7F3N4
Molecular Weight192.14 g/mol
Exact Mass192.06
IUPAC Name3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-amine
SMILESNC1CCn2c1nnc2C(F)(F)F
InChIInChI=1S/C6H7F3N4/c7-6(8,9)5-12-11-4-3(10)1-2-13(4)5/h3H,1-2,10H2
InChIKeyQUMTYTONAKJXNP-UHFFFAOYSA-N
XLogP0.70
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-amine?
The IUPAC name of 3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-amine (CID 82403057) is 3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-amine.
What is the SMILES notation for 3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-amine?
The canonical SMILES for 3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-amine is NC1CCn2c1nnc2C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-amine?
The InChIKey is QUMTYTONAKJXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4/c7-6(8,9)5-12-11-4-3(10)1-2-13(4)5/h3H,1-2,10H2.
What are the key properties of 3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-amine?
3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-amine has a molecular weight of 192.14 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-7-amine is sourced from PubChem (CID 82403057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).