4,5-dimethyl-2H-pyrazolo[3,4-c]pyridazin-3-amine

C7H9N5 — CID 6538880

IUPAC4,5-dimethyl-2H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESCc1nnc2n[nH]c(N)c2c1C
InChIInChI=1S/C7H9N5/c1-3-4(2)9-11-7-5(3)6(8)10-12-7/h1-2H3,(H3,8,10,11,12)
InChIKeyRVIXOTSPJLNAEI-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.55
Rot. Bonds

About 4,5-dimethyl-2H-pyrazolo[3,4-c]pyridazin-3-amine

4,5-dimethyl-2H-pyrazolo[3,4-c]pyridazin-3-amine (PubChem CID 6538880) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 4,5-dimethyl-2H-pyrazolo[3,4-c]pyridazin-3-amine.

Molecular Properties

Compound Name4,5-dimethyl-2H-pyrazolo[3,4-c]pyridazin-3-amine
PubChem CID6538880
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name4,5-dimethyl-2H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESCc1nnc2n[nH]c(N)c2c1C
InChIInChI=1S/C7H9N5/c1-3-4(2)9-11-7-5(3)6(8)10-12-7/h1-2H3,(H3,8,10,11,12)
InChIKeyRVIXOTSPJLNAEI-UHFFFAOYSA-N
XLogP0.55
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The IUPAC name of 4,5-dimethyl-2H-pyrazolo[3,4-c]pyridazin-3-amine (CID 6538880) is 4,5-dimethyl-2H-pyrazolo[3,4-c]pyridazin-3-amine.
What is the SMILES notation for 4,5-dimethyl-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The canonical SMILES for 4,5-dimethyl-2H-pyrazolo[3,4-c]pyridazin-3-amine is Cc1nnc2n[nH]c(N)c2c1C.
What is the InChIKey of 4,5-dimethyl-2H-pyrazolo[3,4-c]pyridazin-3-amine?
The InChIKey is RVIXOTSPJLNAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-3-4(2)9-11-7-5(3)6(8)10-12-7/h1-2H3,(H3,8,10,11,12).
What are the key properties of 4,5-dimethyl-2H-pyrazolo[3,4-c]pyridazin-3-amine?
4,5-dimethyl-2H-pyrazolo[3,4-c]pyridazin-3-amine has a molecular weight of 163.18 g/mol, XLogP of 0.55, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2H-pyrazolo[3,4-c]pyridazin-3-amine is sourced from PubChem (CID 6538880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).