6,6-dimethyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine

C7H12N4 — CID 59145516

IUPAC6,6-dimethyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine
SMILESCC1(C)NCc2c(N)n[nH]c21
InChIInChI=1S/C7H12N4/c1-7(2)5-4(3-9-7)6(8)11-10-5/h9H,3H2,1-2H3,(H3,8,10,11)
InChIKeyKLDLJJRSWZYEFL-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.33
Rot. Bonds

About 6,6-dimethyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine

6,6-dimethyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine (PubChem CID 59145516) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 6,6-dimethyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine.

Molecular Properties

Compound Name6,6-dimethyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine
PubChem CID59145516
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name6,6-dimethyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine
SMILESCC1(C)NCc2c(N)n[nH]c21
InChIInChI=1S/C7H12N4/c1-7(2)5-4(3-9-7)6(8)11-10-5/h9H,3H2,1-2H3,(H3,8,10,11)
InChIKeyKLDLJJRSWZYEFL-UHFFFAOYSA-N
XLogP0.33
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine?
The IUPAC name of 6,6-dimethyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine (CID 59145516) is 6,6-dimethyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine.
What is the SMILES notation for 6,6-dimethyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine?
The canonical SMILES for 6,6-dimethyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine is CC1(C)NCc2c(N)n[nH]c21.
What is the InChIKey of 6,6-dimethyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine?
The InChIKey is KLDLJJRSWZYEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-7(2)5-4(3-9-7)6(8)11-10-5/h9H,3H2,1-2H3,(H3,8,10,11).
What are the key properties of 6,6-dimethyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine?
6,6-dimethyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine has a molecular weight of 152.20 g/mol, XLogP of 0.33, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-amine is sourced from PubChem (CID 59145516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).