2-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine

C8H11F3N4 — CID 83917578

IUPAC2-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
SMILESCn1nc2c(c1N)CN(CC(F)(F)F)C2
InChIInChI=1S/C8H11F3N4/c1-14-7(12)5-2-15(3-6(5)13-14)4-8(9,10)11/h2-4,12H2,1H3
InChIKeyLTNZGZGNUIGFJP-UHFFFAOYSA-N
MW220.20 g/mol
LogP0.88
Rot. Bonds1

About 2-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine

2-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine (PubChem CID 83917578) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is 2-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name2-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
PubChem CID83917578
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name2-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
SMILESCn1nc2c(c1N)CN(CC(F)(F)F)C2
InChIInChI=1S/C8H11F3N4/c1-14-7(12)5-2-15(3-6(5)13-14)4-8(9,10)11/h2-4,12H2,1H3
InChIKeyLTNZGZGNUIGFJP-UHFFFAOYSA-N
XLogP0.88
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine?
The IUPAC name of 2-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine (CID 83917578) is 2-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 2-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine?
The canonical SMILES for 2-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine is Cn1nc2c(c1N)CN(CC(F)(F)F)C2.
What is the InChIKey of 2-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine?
The InChIKey is LTNZGZGNUIGFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c1-14-7(12)5-2-15(3-6(5)13-14)4-8(9,10)11/h2-4,12H2,1H3.
What are the key properties of 2-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine?
2-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine has a molecular weight of 220.20 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 83917578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).