3-methyl-2H-pyrazolo[3,4-c]pyridazine-4,5-diamine

C6H8N6 — CID 91868750

IUPAC3-methyl-2H-pyrazolo[3,4-c]pyridazine-4,5-diamine
SMILESCc1[nH]nc2nnc(N)c(N)c12
InChIInChI=1S/C6H8N6/c1-2-3-4(7)5(8)10-12-6(3)11-9-2/h1H3,(H2,8,10)(H3,7,9,11,12)
InChIKeyPHKNLYVWXMWLGI-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.17
Rot. Bonds

About 3-methyl-2H-pyrazolo[3,4-c]pyridazine-4,5-diamine

3-methyl-2H-pyrazolo[3,4-c]pyridazine-4,5-diamine (PubChem CID 91868750) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is 3-methyl-2H-pyrazolo[3,4-c]pyridazine-4,5-diamine.

Molecular Properties

Compound Name3-methyl-2H-pyrazolo[3,4-c]pyridazine-4,5-diamine
PubChem CID91868750
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name3-methyl-2H-pyrazolo[3,4-c]pyridazine-4,5-diamine
SMILESCc1[nH]nc2nnc(N)c(N)c12
InChIInChI=1S/C6H8N6/c1-2-3-4(7)5(8)10-12-6(3)11-9-2/h1H3,(H2,8,10)(H3,7,9,11,12)
InChIKeyPHKNLYVWXMWLGI-UHFFFAOYSA-N
XLogP-0.17
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-pyrazolo[3,4-c]pyridazine-4,5-diamine?
The IUPAC name of 3-methyl-2H-pyrazolo[3,4-c]pyridazine-4,5-diamine (CID 91868750) is 3-methyl-2H-pyrazolo[3,4-c]pyridazine-4,5-diamine.
What is the SMILES notation for 3-methyl-2H-pyrazolo[3,4-c]pyridazine-4,5-diamine?
The canonical SMILES for 3-methyl-2H-pyrazolo[3,4-c]pyridazine-4,5-diamine is Cc1[nH]nc2nnc(N)c(N)c12.
What is the InChIKey of 3-methyl-2H-pyrazolo[3,4-c]pyridazine-4,5-diamine?
The InChIKey is PHKNLYVWXMWLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c1-2-3-4(7)5(8)10-12-6(3)11-9-2/h1H3,(H2,8,10)(H3,7,9,11,12).
What are the key properties of 3-methyl-2H-pyrazolo[3,4-c]pyridazine-4,5-diamine?
3-methyl-2H-pyrazolo[3,4-c]pyridazine-4,5-diamine has a molecular weight of 164.17 g/mol, XLogP of -0.17, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-pyrazolo[3,4-c]pyridazine-4,5-diamine is sourced from PubChem (CID 91868750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).