3-tert-butyl-2H-pyrazolo[3,4-c]pyridazine

C9H12N4 — CID 91869831

IUPAC3-tert-butyl-2H-pyrazolo[3,4-c]pyridazine
SMILESCC(C)(C)c1[nH]nc2nnccc12
InChIInChI=1S/C9H12N4/c1-9(2,3)7-6-4-5-10-12-8(6)13-11-7/h4-5H,1-3H3,(H,11,12,13)
InChIKeyLTBMVUKAKDBKLH-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.65
Rot. Bonds

About 3-tert-butyl-2H-pyrazolo[3,4-c]pyridazine

3-tert-butyl-2H-pyrazolo[3,4-c]pyridazine (PubChem CID 91869831) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-tert-butyl-2H-pyrazolo[3,4-c]pyridazine.

Molecular Properties

Compound Name3-tert-butyl-2H-pyrazolo[3,4-c]pyridazine
PubChem CID91869831
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name3-tert-butyl-2H-pyrazolo[3,4-c]pyridazine
SMILESCC(C)(C)c1[nH]nc2nnccc12
InChIInChI=1S/C9H12N4/c1-9(2,3)7-6-4-5-10-12-8(6)13-11-7/h4-5H,1-3H3,(H,11,12,13)
InChIKeyLTBMVUKAKDBKLH-UHFFFAOYSA-N
XLogP1.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2H-pyrazolo[3,4-c]pyridazine?
The IUPAC name of 3-tert-butyl-2H-pyrazolo[3,4-c]pyridazine (CID 91869831) is 3-tert-butyl-2H-pyrazolo[3,4-c]pyridazine.
What is the SMILES notation for 3-tert-butyl-2H-pyrazolo[3,4-c]pyridazine?
The canonical SMILES for 3-tert-butyl-2H-pyrazolo[3,4-c]pyridazine is CC(C)(C)c1[nH]nc2nnccc12.
What is the InChIKey of 3-tert-butyl-2H-pyrazolo[3,4-c]pyridazine?
The InChIKey is LTBMVUKAKDBKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-9(2,3)7-6-4-5-10-12-8(6)13-11-7/h4-5H,1-3H3,(H,11,12,13).
What are the key properties of 3-tert-butyl-2H-pyrazolo[3,4-c]pyridazine?
3-tert-butyl-2H-pyrazolo[3,4-c]pyridazine has a molecular weight of 176.22 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2H-pyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 91869831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).