3-(1H-pyrazol-4-yl)pyridazine

C7H6N4 — CID 91607712

IUPAC3-(1H-pyrazol-4-yl)pyridazine
SMILESc1cnnc(-c2cn[nH]c2)c1
InChIInChI=1S/C7H6N4/c1-2-7(11-8-3-1)6-4-9-10-5-6/h1-5H,(H,9,10)
InChIKeyDQMOBPNVVLXJAG-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.87
Rot. Bonds1

About 3-(1H-pyrazol-4-yl)pyridazine

3-(1H-pyrazol-4-yl)pyridazine (PubChem CID 91607712) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)pyridazine.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)pyridazine
PubChem CID91607712
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name3-(1H-pyrazol-4-yl)pyridazine
SMILESc1cnnc(-c2cn[nH]c2)c1
InChIInChI=1S/C7H6N4/c1-2-7(11-8-3-1)6-4-9-10-5-6/h1-5H,(H,9,10)
InChIKeyDQMOBPNVVLXJAG-UHFFFAOYSA-N
XLogP0.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)pyridazine?
The IUPAC name of 3-(1H-pyrazol-4-yl)pyridazine (CID 91607712) is 3-(1H-pyrazol-4-yl)pyridazine.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)pyridazine?
The canonical SMILES for 3-(1H-pyrazol-4-yl)pyridazine is c1cnnc(-c2cn[nH]c2)c1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)pyridazine?
The InChIKey is DQMOBPNVVLXJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-2-7(11-8-3-1)6-4-9-10-5-6/h1-5H,(H,9,10).
What are the key properties of 3-(1H-pyrazol-4-yl)pyridazine?
3-(1H-pyrazol-4-yl)pyridazine has a molecular weight of 146.15 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)pyridazine is sourced from PubChem (CID 91607712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).