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

C8H11F3N4 — CID 83917575

IUPAC1-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine
SMILESCn1nc(N)c2c1CN(CC(F)(F)F)C2
InChIInChI=1S/C8H11F3N4/c1-14-6-3-15(4-8(9,10)11)2-5(6)7(12)13-14/h2-4H2,1H3,(H2,12,13)
InChIKeySAUBKBYQUNCMHE-UHFFFAOYSA-N
MW220.20 g/mol
LogP0.88
Rot. Bonds1

About 1-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine

1-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine (PubChem CID 83917575) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is 1-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine
PubChem CID83917575
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name1-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine
SMILESCn1nc(N)c2c1CN(CC(F)(F)F)C2
InChIInChI=1S/C8H11F3N4/c1-14-6-3-15(4-8(9,10)11)2-5(6)7(12)13-14/h2-4H2,1H3,(H2,12,13)
InChIKeySAUBKBYQUNCMHE-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 1-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine?
The IUPAC name of 1-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine (CID 83917575) is 1-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine?
The canonical SMILES for 1-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine is Cn1nc(N)c2c1CN(CC(F)(F)F)C2.
What is the InChIKey of 1-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine?
The InChIKey is SAUBKBYQUNCMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c1-14-6-3-15(4-8(9,10)11)2-5(6)7(12)13-14/h2-4H2,1H3,(H2,12,13).
What are the key properties of 1-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine?
1-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]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 1-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine is sourced from PubChem (CID 83917575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).