5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine

C9H16N4 — CID 83862149

IUPAC5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine
SMILESCC(C)n1nc(N)c2c1CN(C)C2
InChIInChI=1S/C9H16N4/c1-6(2)13-8-5-12(3)4-7(8)9(10)11-13/h6H,4-5H2,1-3H3,(H2,10,11)
InChIKeyQLWMEKBZSDODRK-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.99
Rot. Bonds1

About 5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine

5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine (PubChem CID 83862149) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine
PubChem CID83862149
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine
SMILESCC(C)n1nc(N)c2c1CN(C)C2
InChIInChI=1S/C9H16N4/c1-6(2)13-8-5-12(3)4-7(8)9(10)11-13/h6H,4-5H2,1-3H3,(H2,10,11)
InChIKeyQLWMEKBZSDODRK-UHFFFAOYSA-N
XLogP0.99
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-amine
CID 82651144
2-methyl-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-amine dihydrochloride
CID 121553094
1-methyl-1H,4H,5H,6H-pyrrolo(3,4-c)pyrazol-3-amine dihydrochloride
CID 121553157
bis(1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-yl)diazene
CID 123318955
1,3-Dimethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyrazol-5-amine
CID 55046221
1-Methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine
CID 83917575
2-Methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-3-amine
CID 83917578
Methyl 3-amino-5-methyl-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate
CID 57832651
1-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
CID 58201302
1-Isopropyl-3,4-dimethyl-1H-pyrazol-5-amine
CID 61949161
tert-Butyl 3-amino-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate
CID 71647969
1,4-dimethyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine
CID 83845532

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine?
The IUPAC name of 5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine (CID 83862149) is 5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine?
The canonical SMILES for 5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine is CC(C)n1nc(N)c2c1CN(C)C2.
What is the InChIKey of 5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine?
The InChIKey is QLWMEKBZSDODRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-6(2)13-8-5-12(3)4-7(8)9(10)11-13/h6H,4-5H2,1-3H3,(H2,10,11).
What are the key properties of 5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine?
5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine has a molecular weight of 180.25 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine is sourced from PubChem (CID 83862149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).