1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone

C7H10N4O — CID 45086370

IUPAC1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone
SMILESCC(=O)N1Cc2[nH]nc(N)c2C1
InChIInChI=1S/C7H10N4O/c1-4(12)11-2-5-6(3-11)9-10-7(5)8/h2-3H2,1H3,(H3,8,9,10)
InChIKeyIIZBRZVUQBPNQJ-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.15
Rot. Bonds

About 1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone

1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone (PubChem CID 45086370) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone
PubChem CID45086370
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone
SMILESCC(=O)N1Cc2[nH]nc(N)c2C1
InChIInChI=1S/C7H10N4O/c1-4(12)11-2-5-6(3-11)9-10-7(5)8/h2-3H2,1H3,(H3,8,9,10)
InChIKeyIIZBRZVUQBPNQJ-UHFFFAOYSA-N
XLogP-0.15
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone?
The IUPAC name of 1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone (CID 45086370) is 1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone?
The canonical SMILES for 1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone is CC(=O)N1Cc2[nH]nc(N)c2C1.
What is the InChIKey of 1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone?
The InChIKey is IIZBRZVUQBPNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-4(12)11-2-5-6(3-11)9-10-7(5)8/h2-3H2,1H3,(H3,8,9,10).
What are the key properties of 1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone?
1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone has a molecular weight of 166.18 g/mol, XLogP of -0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone is sourced from PubChem (CID 45086370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).