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

C9H16N4 — CID 83846562

IUPAC1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine
SMILESCC(C)N1Cc2c(N)nn(C)c2C1
InChIInChI=1S/C9H16N4/c1-6(2)13-4-7-8(5-13)12(3)11-9(7)10/h6H,4-5H2,1-3H3,(H2,10,11)
InChIKeyVLOHLHPMVFMXMR-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.73
Rot. Bonds1

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

1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine (PubChem CID 83846562) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine
PubChem CID83846562
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine
SMILESCC(C)N1Cc2c(N)nn(C)c2C1
InChIInChI=1S/C9H16N4/c1-6(2)13-4-7-8(5-13)12(3)11-9(7)10/h6H,4-5H2,1-3H3,(H2,10,11)
InChIKeyVLOHLHPMVFMXMR-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine?
The IUPAC name of 1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine (CID 83846562) is 1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine?
The canonical SMILES for 1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine is CC(C)N1Cc2c(N)nn(C)c2C1.
What is the InChIKey of 1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine?
The InChIKey is VLOHLHPMVFMXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-6(2)13-4-7-8(5-13)12(3)11-9(7)10/h6H,4-5H2,1-3H3,(H2,10,11).
What are the key properties of 1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine?
1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine has a molecular weight of 180.25 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-amine is sourced from PubChem (CID 83846562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).