4-(3,5-dimethylpyrazol-1-yl)-2H-triazolo[4,5-d]pyridazine

C9H9N7 — CID 12857844

IUPAC4-(3,5-dimethylpyrazol-1-yl)-2H-triazolo[4,5-d]pyridazine
SMILESCc1cc(C)n(-c2nncc3n[nH]nc23)n1
InChIInChI=1S/C9H9N7/c1-5-3-6(2)16(14-5)9-8-7(4-10-13-9)11-15-12-8/h3-4H,1-2H3,(H,11,12,15)
InChIKeyCTFHQSANWTWVRR-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.55
Rot. Bonds1

About 4-(3,5-dimethylpyrazol-1-yl)-2H-triazolo[4,5-d]pyridazine

4-(3,5-dimethylpyrazol-1-yl)-2H-triazolo[4,5-d]pyridazine (PubChem CID 12857844) has the molecular formula C9H9N7 and a molecular weight of 215.22 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-2H-triazolo[4,5-d]pyridazine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-2H-triazolo[4,5-d]pyridazine
PubChem CID12857844
Molecular FormulaC9H9N7
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-2H-triazolo[4,5-d]pyridazine
SMILESCc1cc(C)n(-c2nncc3n[nH]nc23)n1
InChIInChI=1S/C9H9N7/c1-5-3-6(2)16(14-5)9-8-7(4-10-13-9)11-15-12-8/h3-4H,1-2H3,(H,11,12,15)
InChIKeyCTFHQSANWTWVRR-UHFFFAOYSA-N
XLogP0.55
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2H-triazolo[4,5-d]pyridazine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2H-triazolo[4,5-d]pyridazine (CID 12857844) is 4-(3,5-dimethylpyrazol-1-yl)-2H-triazolo[4,5-d]pyridazine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-2H-triazolo[4,5-d]pyridazine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-2H-triazolo[4,5-d]pyridazine is Cc1cc(C)n(-c2nncc3n[nH]nc23)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-2H-triazolo[4,5-d]pyridazine?
The InChIKey is CTFHQSANWTWVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7/c1-5-3-6(2)16(14-5)9-8-7(4-10-13-9)11-15-12-8/h3-4H,1-2H3,(H,11,12,15).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-2H-triazolo[4,5-d]pyridazine?
4-(3,5-dimethylpyrazol-1-yl)-2H-triazolo[4,5-d]pyridazine has a molecular weight of 215.22 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-2H-triazolo[4,5-d]pyridazine is sourced from PubChem (CID 12857844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).