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

C11H15N5O — CID 103294629

IUPAC4-amino-5-(2-methylpropyl)-2-pyridazin-3-yl-1H-pyrazol-3-one
SMILESCC(C)Cc1[nH]n(-c2cccnn2)c(=O)c1N
InChIInChI=1S/C11H15N5O/c1-7(2)6-8-10(12)11(17)16(15-8)9-4-3-5-13-14-9/h3-5,7,15H,6,12H2,1-2H3
InChIKeyRPFSPWIQSNTPCR-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.74
Rot. Bonds3

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

4-amino-5-(2-methylpropyl)-2-pyridazin-3-yl-1H-pyrazol-3-one (PubChem CID 103294629) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 4-amino-5-(2-methylpropyl)-2-pyridazin-3-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-(2-methylpropyl)-2-pyridazin-3-yl-1H-pyrazol-3-one
PubChem CID103294629
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name4-amino-5-(2-methylpropyl)-2-pyridazin-3-yl-1H-pyrazol-3-one
SMILESCC(C)Cc1[nH]n(-c2cccnn2)c(=O)c1N
InChIInChI=1S/C11H15N5O/c1-7(2)6-8-10(12)11(17)16(15-8)9-4-3-5-13-14-9/h3-5,7,15H,6,12H2,1-2H3
InChIKeyRPFSPWIQSNTPCR-UHFFFAOYSA-N
XLogP0.74
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-methylpropyl)-2-pyridazin-3-yl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-5-(2-methylpropyl)-2-pyridazin-3-yl-1H-pyrazol-3-one (CID 103294629) is 4-amino-5-(2-methylpropyl)-2-pyridazin-3-yl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-5-(2-methylpropyl)-2-pyridazin-3-yl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-5-(2-methylpropyl)-2-pyridazin-3-yl-1H-pyrazol-3-one is CC(C)Cc1[nH]n(-c2cccnn2)c(=O)c1N.
What is the InChIKey of 4-amino-5-(2-methylpropyl)-2-pyridazin-3-yl-1H-pyrazol-3-one?
The InChIKey is RPFSPWIQSNTPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7(2)6-8-10(12)11(17)16(15-8)9-4-3-5-13-14-9/h3-5,7,15H,6,12H2,1-2H3.
What are the key properties of 4-amino-5-(2-methylpropyl)-2-pyridazin-3-yl-1H-pyrazol-3-one?
4-amino-5-(2-methylpropyl)-2-pyridazin-3-yl-1H-pyrazol-3-one has a molecular weight of 233.28 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-methylpropyl)-2-pyridazin-3-yl-1H-pyrazol-3-one is sourced from PubChem (CID 103294629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).