3,4,7-trimethyl-2-phenylpyrazolo[3,4-d]pyridazine

C14H14N4 — CID 15785993

IUPAC3,4,7-trimethyl-2-phenylpyrazolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c(C)n(-c3ccccc3)nc12
InChIInChI=1S/C14H14N4/c1-9-13-11(3)18(12-7-5-4-6-8-12)17-14(13)10(2)16-15-9/h4-8H,1-3H3
InChIKeyJQNROROAQAJZSM-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.74
Rot. Bonds1

About 3,4,7-trimethyl-2-phenylpyrazolo[3,4-d]pyridazine

3,4,7-trimethyl-2-phenylpyrazolo[3,4-d]pyridazine (PubChem CID 15785993) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3,4,7-trimethyl-2-phenylpyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name3,4,7-trimethyl-2-phenylpyrazolo[3,4-d]pyridazine
PubChem CID15785993
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name3,4,7-trimethyl-2-phenylpyrazolo[3,4-d]pyridazine
SMILESCc1nnc(C)c2c(C)n(-c3ccccc3)nc12
InChIInChI=1S/C14H14N4/c1-9-13-11(3)18(12-7-5-4-6-8-12)17-14(13)10(2)16-15-9/h4-8H,1-3H3
InChIKeyJQNROROAQAJZSM-UHFFFAOYSA-N
XLogP2.74
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,7-trimethyl-2-phenylpyrazolo[3,4-d]pyridazine?
The IUPAC name of 3,4,7-trimethyl-2-phenylpyrazolo[3,4-d]pyridazine (CID 15785993) is 3,4,7-trimethyl-2-phenylpyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 3,4,7-trimethyl-2-phenylpyrazolo[3,4-d]pyridazine?
The canonical SMILES for 3,4,7-trimethyl-2-phenylpyrazolo[3,4-d]pyridazine is Cc1nnc(C)c2c(C)n(-c3ccccc3)nc12.
What is the InChIKey of 3,4,7-trimethyl-2-phenylpyrazolo[3,4-d]pyridazine?
The InChIKey is JQNROROAQAJZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-13-11(3)18(12-7-5-4-6-8-12)17-14(13)10(2)16-15-9/h4-8H,1-3H3.
What are the key properties of 3,4,7-trimethyl-2-phenylpyrazolo[3,4-d]pyridazine?
3,4,7-trimethyl-2-phenylpyrazolo[3,4-d]pyridazine has a molecular weight of 238.29 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7-trimethyl-2-phenylpyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 15785993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).