2-methyl-5-(1H-pyrazol-4-yl)pyridazin-3-one

C8H8N4O — CID 165172153

IUPAC2-methyl-5-(1H-pyrazol-4-yl)pyridazin-3-one
SMILESCn1ncc(-c2cn[nH]c2)cc1=O
InChIInChI=1S/C8H8N4O/c1-12-8(13)2-6(5-11-12)7-3-9-10-4-7/h2-5H,1H3,(H,9,10)
InChIKeyAQVQRBYXENFMDB-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.17
Rot. Bonds1

About 2-methyl-5-(1H-pyrazol-4-yl)pyridazin-3-one

2-methyl-5-(1H-pyrazol-4-yl)pyridazin-3-one (PubChem CID 165172153) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-methyl-5-(1H-pyrazol-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-(1H-pyrazol-4-yl)pyridazin-3-one
PubChem CID165172153
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name2-methyl-5-(1H-pyrazol-4-yl)pyridazin-3-one
SMILESCn1ncc(-c2cn[nH]c2)cc1=O
InChIInChI=1S/C8H8N4O/c1-12-8(13)2-6(5-11-12)7-3-9-10-4-7/h2-5H,1H3,(H,9,10)
InChIKeyAQVQRBYXENFMDB-UHFFFAOYSA-N
XLogP0.17
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1H-pyrazol-4-yl)pyridazin-3-one?
The IUPAC name of 2-methyl-5-(1H-pyrazol-4-yl)pyridazin-3-one (CID 165172153) is 2-methyl-5-(1H-pyrazol-4-yl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-(1H-pyrazol-4-yl)pyridazin-3-one?
The canonical SMILES for 2-methyl-5-(1H-pyrazol-4-yl)pyridazin-3-one is Cn1ncc(-c2cn[nH]c2)cc1=O.
What is the InChIKey of 2-methyl-5-(1H-pyrazol-4-yl)pyridazin-3-one?
The InChIKey is AQVQRBYXENFMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-12-8(13)2-6(5-11-12)7-3-9-10-4-7/h2-5H,1H3,(H,9,10).
What are the key properties of 2-methyl-5-(1H-pyrazol-4-yl)pyridazin-3-one?
2-methyl-5-(1H-pyrazol-4-yl)pyridazin-3-one has a molecular weight of 176.18 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1H-pyrazol-4-yl)pyridazin-3-one is sourced from PubChem (CID 165172153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).