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

C8H8N4 — CID 168929867

IUPAC5-methyl-3-(1H-pyrazol-4-yl)pyridazine
SMILESCc1cnnc(-c2cn[nH]c2)c1
InChIInChI=1S/C8H8N4/c1-6-2-8(12-11-3-6)7-4-9-10-5-7/h2-5H,1H3,(H,9,10)
InChIKeySXLSNCWXUSOVNF-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.18
Rot. Bonds1

About 5-methyl-3-(1H-pyrazol-4-yl)pyridazine

5-methyl-3-(1H-pyrazol-4-yl)pyridazine (PubChem CID 168929867) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 5-methyl-3-(1H-pyrazol-4-yl)pyridazine.

Molecular Properties

Compound Name5-methyl-3-(1H-pyrazol-4-yl)pyridazine
PubChem CID168929867
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name5-methyl-3-(1H-pyrazol-4-yl)pyridazine
SMILESCc1cnnc(-c2cn[nH]c2)c1
InChIInChI=1S/C8H8N4/c1-6-2-8(12-11-3-6)7-4-9-10-5-7/h2-5H,1H3,(H,9,10)
InChIKeySXLSNCWXUSOVNF-UHFFFAOYSA-N
XLogP1.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1H-pyrazol-4-yl)pyridazine?
The IUPAC name of 5-methyl-3-(1H-pyrazol-4-yl)pyridazine (CID 168929867) is 5-methyl-3-(1H-pyrazol-4-yl)pyridazine.
What is the SMILES notation for 5-methyl-3-(1H-pyrazol-4-yl)pyridazine?
The canonical SMILES for 5-methyl-3-(1H-pyrazol-4-yl)pyridazine is Cc1cnnc(-c2cn[nH]c2)c1.
What is the InChIKey of 5-methyl-3-(1H-pyrazol-4-yl)pyridazine?
The InChIKey is SXLSNCWXUSOVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-6-2-8(12-11-3-6)7-4-9-10-5-7/h2-5H,1H3,(H,9,10).
What are the key properties of 5-methyl-3-(1H-pyrazol-4-yl)pyridazine?
5-methyl-3-(1H-pyrazol-4-yl)pyridazine has a molecular weight of 160.18 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1H-pyrazol-4-yl)pyridazine is sourced from PubChem (CID 168929867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).