3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-amine

C7H9N5 — CID 155245141

IUPAC3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-amine
SMILESCc1nnc(N)c2n[nH]c(C)c12
InChIInChI=1S/C7H9N5/c1-3-5-4(2)10-12-7(8)6(5)11-9-3/h1-2H3,(H2,8,12)(H,9,11)
InChIKeyCFWOYZOHSJGPNC-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.55
Rot. Bonds

About 3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-amine

3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-amine (PubChem CID 155245141) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-amine.

Molecular Properties

Compound Name3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-amine
PubChem CID155245141
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-amine
SMILESCc1nnc(N)c2n[nH]c(C)c12
InChIInChI=1S/C7H9N5/c1-3-5-4(2)10-12-7(8)6(5)11-9-3/h1-2H3,(H2,8,12)(H,9,11)
InChIKeyCFWOYZOHSJGPNC-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 3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-amine?
The IUPAC name of 3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-amine (CID 155245141) is 3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-amine.
What is the SMILES notation for 3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-amine?
The canonical SMILES for 3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-amine is Cc1nnc(N)c2n[nH]c(C)c12.
What is the InChIKey of 3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-amine?
The InChIKey is CFWOYZOHSJGPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-3-5-4(2)10-12-7(8)6(5)11-9-3/h1-2H3,(H2,8,12)(H,9,11).
What are the key properties of 3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-amine?
3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-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 3,4-dimethyl-2H-pyrazolo[3,4-d]pyridazin-7-amine is sourced from PubChem (CID 155245141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).